AlCl	AlCl	Aluminium Chloride

1+	C∞v	Values given for the main isotopic species 35Cl  (75.77%).

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
		477.4
_________________________________________________________________________

Huber and Herzberg 1979.

Rotational structure:

B = 7 288.6 MHz			 = 1-2 D

Poynter & Pickett. 62005
Lovas and Tieman 1974.

Astrophysical detections:

Planetary atmospheres:	
Comets:	
Interstellar medium:	radio (rot.)
Extragalactic:

Cernicharo, J., Guélin, M. 1987. Metals in IRC+10216: detection of NaCl, AlCl, and KCl, and tentative detection of AlF. Astron. Astrophys. 183, L10-L12

AlF	AlF	Aluminium Fluoride

1+	C∞v

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
		792.7
_________________________________________________________________________

Huber and Herzberg 1979.
Maki, A.G., Lovas, F.J. 1982. Infrared diode laser spectra of the  v = 1 band of AlF and the  v = 2 band of KF. J. Mol. Spect. 95, 80-91.

Rotational structure:

B = 16 488.2 MHz			 = 1.5 D

Lovas and Tieman 1974.

Astrophysical detections:

Planetary atmospheres:	
Comets:	
Interstellar medium:	radio (rot.)
Extragalactic:

Cernicharo, J., Guélin, M. 1987. Metals in IRC+10216: detection of NaCl, AlCl, and KCl, and tentative detection of AlF. Astron. Astrophys. 183, L10-L12.
Ziuris, L.M., Apponi, A.J., Phillips, T.G. 1994. Exotic fluoride molecules in IRC+10216: confirmation of AlF and searches for MgF and CaF. Astrophys. J. 443, 729-732.

AlH	AlH	Aluminium Hydride

1+	C∞v

Photodissociation rate:

Interstellar medium:	 = 3.7 10-9 s-1 (van Dishoeck 1988)

Vibrational bands:
_________________________________________________________________________
band			S	A	g	mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
		1624.4
_________________________________________________________________________

Huber and Herzberg 1979.
Deutsch, J.L., Neil, W.J., Ramsay, D.A. 1987. Emission bands of AlH (X1+): the 2-0 sequence. J. Mol. Spect. 125, 115-121.

Rotational structure:

B = 188 891.0 MHz			 = (0.185) Da)

a) Meyer, W., Rosmus, P. 1975. PNO-CI and CEPA studies of electron correlation effects. III. Spectroscopic constants and dipole moment functions for the ground states of the first-row and second-row diatomic hydrides. J. Chem. Phys. 63, 2356-2375.
Goto, M., Saito, S. 1995. Laboratory measurement of the J = 1-0 transition of AlH near 387 GHz. Astrophys. J. 452, L147-L148.

Astrophysical detections: none.

AlHO	AlOH	

1+	C∞v

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
		(3790.)				OH str.
						bend.
		(810.)				AlO str.
_________________________________________________________________________

Jacox 1988.

Rotational structure: linear.

B = 15 740.35 MHz		 = (1.04) D

Apponi, A.J., Barclay, W.L., Ziurys, L.M. 1993. The millimeter-wave spectrum of AlOH. Astrophys. J. 414, L129-L132.

Astrophysical detections: none.

AlO	AlO	Aluminium Monoxide

2+	C∞v

Photodissociation rate:

Infrared electronic bands:
_________________________________________________________________________
band			S	A	g	        
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
A2i-X2+	5407.7		(1300.)	2.5 10-3
_________________________________________________________________________

Huber and Herzberg 1979.
Yoshmine, M., McLean, A.D., Liu, B. 1973. Band strengths for electric dipole transitions from ab initio computation: LiO, AlO. J. Chem. Phys. 58, 4412-4429.
Lonila, O., Jonsson, J. 1994. Spectroscopy of AlO: rotational analysis of the A2i-X2+ transition in the 2 m region. J. Mol. Spect. 168, 1-38.

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
		965.5	719.	21.	4.1 10-4
_________________________________________________________________________

Pugh and Rao 1976.
Huber and Herzberg 1979.

Rotational structure:

B = 19 141.6 MHz			 = (4.6) D

Poynter & Pickett. 43003

Astrophysical detections: none.

AsH3	AsH3	Arsine

1	C3v

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	a1	2115.2	266.	37.	2.9 10-4	s-str.
	a1	906. 				s-str.
	e	2126.4	738.	51.	8.0 10-4	d-str.
	e	1003. 				d-str.
_________________________________________________________________________

Shimanouchi I.
Ulenikov, O.N., Cheglokov, A.E., Shevchenko, G.A., Winnewisser, M., Winewisser, B.P. 1993. High-resolution Fourier transform spectra of AsH3: the vibrational bands 22 (A1), 2 + 4 (E), 1 (A1), and 3 (E). J. Mol. Spect. 157, 141-160.
Dana, V., Mandin, J.-Y., Tarrago, G., Olson, W.B., Bézard, B. 1993. Absolute infrared intensities in the fundamentals 1 and 2 of arsine. J. Mol. Spect. 159, 468-480.

Rotational structure: oblate symmetric top.

A = B = 112 470.6 MHz		
C = 104 884.4 MHz			C = 0.2 D

Carlotti, M., DiLonardo, G., Fusina, L. 1984. Far infrared spectrum and spectroscopic constants of AsH3 in the ground state. J. Mol. Spect. 102, 310-319.
Landolt-Börnstein 1982.

Astrophysical detections:

Planetary atmospheres:	IR (rovib. Saturn)
Comets:	
Interstellar medium:	
Extragalactic:

Bézard, B., Drossart, P., Lellouch, E., Tarrago, G., Maillard, J.P. 1989. Detection of arsine in Saturn. Astrophys. J. 346, 509-513.

BrH	HBr	Hydrogen Bromide

1+	C∞v

79Br and 81Br isotopes have nearly equal cosmic abundances.

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
		2558.9	36.	7.8	4.5 10-5
_________________________________________________________________________

GEISA.
Smith et al. 1985, 1992.
Bernage, P., Niay, P. 1977. Etude comparée des constantes moléculaires de HBr et de DBr: application à la détermination des constantes moléculaires de TBr. Can. J. Phys. 55, 1076‑1032.
Mantz, A.W., Eng., R.S. 1978. Tunable laser measurement of line intensities and pressure-broadening line widths of HBr:Ar on the HBr infrared fundamental region. Appl. Spect. 32, 239.
Braun, V., Bernath, P.F. 1994. Infrared emission spectroscopy of HBr. J. Mol. Spect. 167, 282-287.

Rotational structure: 

B = 250 357.6,  250 280.2 MHz	 = 0.827 D

Poynter & Pickett. 80001 82001.
Landolt-Börnstein 1982.
Di Lonardo, G., Fusina, L., De Natale, P., Inguscio, M., Prevedeli, M. 1991. The pure rotational spectrum of HBr in the submillimeter-wave region. J. Mol. Spect. 148, 86-92.

Astrophysical detections: none.

CaH	CaH	Calcium Hydride

2+	C∞v

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
		1260.1	
_________________________________________________________________________

Huber and Herzberg 1979.
Fram, C.I., Pickett, H.M. 1993. High-resolution infrared Fourier transform emission spectroscopy of metal hydrides: X2+ state of CaH. J. Mol. Spect. 159, 329-336.

Rotational structure: 

B = 126 772.9 MHz			 = (1.3 ?) D

Poynter & Pickett. 41008
Petitprez, D., Lemoine, B., Demuynck, C., Destombes, J.L., Macke, B. 1989. Infrared diode laser spectroscopy of CaH and CaD (X2+). Determination of mass-independent parameters. J. Chem. Phys. 91, 4462-4467.
Barclay, W.L., Anderson, M.A., Ziurys, L.M. 1993. The millimeter-wave spectrum of CaH (X2+). Astrophys. J. 408, L65-L67.
Frum, C.I., Oh, J.J., Cohen, E.A., Pickett, H.M. 1993. Rotational spectra of the X2+ states of CaH and CaD. Astrophys. J. 408, L61-L64.

Astrophysical detections:

Planetary atmospheres:	
Comets:	
Interstellar medium:
Extragalactic:

Turner, B.E. 1991. Observations and chemistry of interstellar refractory elements. Astrophys. J. 376, 573-598. (Upper limit.)

CaHO	CaOH	Calcium Hydroxide

2+	C∞v

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
						OH str.
		339.				bend.
		606.				CaO str.
_________________________________________________________________________

Jacox 1988.

Rotational structure: linear.

B = 10 023.084 MHz			 = 1.47  D

Bernath, P.F., Brazier, C.R. 1985. Spectroscopy of CaOH. Astrophys. J. 288, 373-376.
Ziuris, L.M., Barclay, W.L., Jr, Anderson, M.A. 1992. The millimeter-wave spectrum of the CaOH radical(X2+). Astrophys. J. 384, L63-L66.
Steimle, T.C., Fletcher, D.A., Jung, K.Y., Scurlock, C.T. 1992. A supersonic molecular beam optical Stark study of CaOH and SrOH. J. Chem. Phys. 96, 2256-2564. (Dipolar moment.)
Scurlock, C.T., Fletcher, D.A., Steimle, T.C. 1993. Hyperfine structure in the (0, 0, 0) X2+ state of CaOH observed by pump/probe microwave-optical double resonance. J. Mol.Spect. 159, 350-356.
Ziurys, L.M., Fletcher, D.A., Anderson,M.A., Barclay, W.L. 1996. Rest frequencies for alkaline earth hydroxide radicals (X2+). Astrophys. J. Suppl. 102, 425-434.

Astrophysical detections:

Planetary atmospheres:	
Comets:	
Interstellar medium:
Extragalactic:

Turner, B.E. 1991. Observations and chemistry of interstellar refractory elements. Astrophys. J. 376, 573-598. (Upper limit.)

CaO	CaO	Calcium Monoxide

1+	C∞v

Photodissociation rate:

Infrared electronic bands:
_________________________________________________________________________
band			S	A	g	        
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
A'1-X1+	8340.
_________________________________________________________________________

Field, R.W., Capelle, G.A., Jones, C.R. 1975. The A'1-X1 system of CaO. J. Mol. Spect. 54, 156-159.

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
		722.5	
_________________________________________________________________________

Huber and Herzberg 1979.
Hedderich, H.G., Blum, C.E. 1989. Flame diagnostic and molecular constants of CaO by tunable diode laser spectroscopy. J. Chem. Phys. 90, 4660-4663.

Rotational structure: 

B = 13 274.7 MHz			 = (8.0) D

Creswell, R.H., Hocking, W.H., Pearson, E.F. 1977. Millimeter wave spectrum of CaO. Chem. Phys. Lett. 48, 369-371.
Hocking, W.H., Pearson, E.F., Creswell, R.A., Winnewisser, G. 1978. Millimeter wave spectrum of the alkaline earth metal oxides: BaO, SrO and CaO. J. Chem. Phys. 68, 1128-1134.

Astrophysical detections:

Planetary atmospheres:	
Comets:	
Interstellar medium:
Extragalactic:

Turner, B.E. 1991. Observations and chemistry of interstellar refractory elements. Astrophys. J. 376, 573-598. (Upper limit.)

CaS	CaS	Calcium Suphide

1+	C∞v

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
		458.7	
_________________________________________________________________________

Huber and Herzberg 1979.

Rotational structure: 

B = 5 284.2 MHz			 = (8.0 ?) D

Takano, S., Yamamoto, S., Saito, S. 1989. Millimeter wave spectra of MgS and CaS. Chem. Phys. Lett. 159, 563-566.

Astrophysical detections:

Planetary atmospheres:	
Comets:	
Interstellar medium:
Extragalactic:

Turner, B.E. 1991. Observations and chemistry of interstellar refractory elements. Astrophys. J. 376, 573-598. (Upper limit.)

ClH	HCl	Hydrogen Chloride

1+	C∞v	Values given for the main isotopic species 35Cl  (75.77%).

Photodissociation rate:

By quiet Sun at 1 AU:	= 7.2 10-6 s-1 (Huebner  et al. 1992)
Interstellar medium:	 = 6.5 10-10 s-1 (van Dishoeck 1988);  = 1.1 10-10 s-1 (Roberge et al. 1991)

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
		2883.9	127.	33.	1.7 10-4
_________________________________________________________________________

Huber and Herzberg 1979.
GEISA (rot, 1-0, others).
Smith et al. 1985, 1992.
Guelachvili, G., Niay, P., Bernage, P., 1981. Infrared bands of HCl and DCl by Fourier transform spectroscopy. J. Mol. Spect. 85, 271-281.
LeBlanc, R.B., White, J.B., Bernath, P.F. 1994. High-resolution infrared emission spectra of HCl and HF. J. Mol. Spect. 164, 574-579.

Rotational structure:

B = 312 989.3 MHz			 = 1.109 D

Poynter & Pickett. 36001
Lovas and Tieman 1974.
Klaus, T., Belov, S.P., Winnewisser, G. 1998. Precise measurement of the pure rotational submillimeter-wave spectrum of HCl and DCl in their v = 0, 1 states. J. Mol. Spect. 187, 109-117.

Astrophysical detections:

Planetary atmospheres:	IR (rovib., Venus)
Comets:
Interstellar medium:	radio (rot.)
Extragalactic:

Blake, G.A., Keene, J., Phillips ,T.G. 1985. Chlorine in dense interstellar clouds: the abundance of HCl in OMC-1. Astrophys. J. 295, 501-506. (This detection is generally considered as tentative.)
Salez, M., Febvre, P., McGrath, W.R., Bumble, B., Leduc, H.G. 1994. An SiS waveguide heterodyne receiver for 600 GHz-635 GHz. Int. J. Infrared Millimeter Waves 15, 349-368.

ClHO	HOCl	Hypochlorous Acid

	Cs	Values given for the main isotopic species 35Cl  (75.77%).

Photodissociation rate:

By quiet Sun at 1 AU:	= 5.6 10-4 s-1 (Huebner et al. 1992)

Vibrational bands:
_________________________________________________________________________
band			S	A	g	mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	a'	3609.5	252.	101.  	3.7 10-4	str.
	a'	1238.6	287.	14.  	2.0 10-4	bend.
	a'	724.4	48.	0.78	2.1 10-5	str.
_________________________________________________________________________

GEISA.
ATMOS.
Smith et al. 1985, 1992.
Junttila, M.L., Lafferty, W.J., Burkholder, J.B. 1994. The high-resolution spectrum of the 1 band and ground rotational constants of HOCl. J. Mol. Spect. 164, 583-585.

Rotational structure: 

A = 613 483.9 MHz			A = 0.363 D
B =  15 116.8 MHz			B = 1.471 D
C =  14 725.8 MHz

Poynter & Pickett. 52006
Bellini, M., De Natale, P., Fusina, L., Modugno, G. 1995. The pure rotation spectrum of HOCl in the submillimeter-wave region. J. Mol. Spect. 172, 559-562.

Astrophysical detections: none.

ClK	KCl	Potassium Chloride

1+	C∞v	Values given for the main isotopic species 35Cl  (75.77%).

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
		278.
_________________________________________________________________________

Huber and Herzberg 1979.

Rotational structure:

B =  3 844.5 MHz			 =  10.24 D

Poynter & Pickett. 74001
Lovas and Tieman 1974.

Astrophysical detections:

Planetary atmospheres:	
Comets:	
Interstellar medium:	radio (rot.)
Extragalactic:

Cernicharo, J., Guélin, M. 1987. Metals in IRC+10216: detection of NaCl, AlCl, and KCl, and tentative detection of AlF. Astron. Astrophys. 183, L10-L12.

ClNa	NaCl	Sodium Chloride

1+	C∞v	Values given for the main isotopic species 35Cl  (75.77%).

Photodissociation rate:

Interstellar medium:	 = 3.6 10-9 s-1 (van Dishoeck 1988)

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
		361.1
_________________________________________________________________________

Huber and Herzberg 1979.
Vehara, H., Horiai, K., Nakagawa, K., Fujimoto, T. 1989. Infrared diode laser spectroscopy of NaCl. J. Mol. Spect. 134, 98-105.

Rotational structure: 

B =  6 513.0 MHz			 =  8.97 D

Poynter & Pickett. 58002
Lovas and Tieman 1974.

Astrophysical detections:

Planetary atmospheres:	
Comets:
Interstellar medium:	radio (rot.)	
Extragalactic:

Cernicharo, J., Guélin, M. 1987. Metals in IRC+10216: detection of NaCl, AlCl, and KCl, and tentative detection of AlF. Astron. Astrophys. 183, L10-L12.

ClO	ClO	Chlorine Monoxide

2i	C∞v	Values given for the main isotopic species 35Cl  (75.77%).

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
1-0		842.6	12.	0.26	6.1 10-6	
_________________________________________________________________________

GEISA.
Smith et al. 1985, 1992.
Burkholder, J.B., Hammer, P.D., Howard, C., Maki, A.G., Thompson, G., Chackerian, C. Jr. 1987. Infrared measurements of the ClO radical. J. Mol. Spect. 124, 139-161.

Rotational structure: 

B = 18 601.8 MHz			 = 1.297 D

Poynter & Pickett. 51002

Astrophysical detections: none.

FH	HF	Hydrogen Fluoride
		Fluorine Hydride

1+	C∞v

Photodissociation rate:

By quiet Sun at 1 AU:	= 4.310-7 s-1 (Huebner et al. 1992)

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
		3961.4	421.	203.	6.5 10-4
_________________________________________________________________________

Huber and Herzberg 1979.
GEISA (rot., 1-0, others).
Smith et al. 1985, 1992.
Goddon, D., Groh, A., Hanses, H.J., Schneider, M., Urban, W. 1991. Heterodyne measurements of the 1-0 band of HF at 2.7 m. J. Mol. Spect. 147, 392-397.
LeBlanc, R.B., White, J.B., Bernath, P.F. 1994. High-resolution infrared emission spectra of HCl and HF. J. Mol. Spect. 164, 574-579.
Ram, R.S., Morbi, Z., Guo, B., Zhang, K.-Q., Bertnath, P.F., Vander Auwera, J., Johns, J.W.C., Davis,  S.P. 1996. Infrared spectra of hot HF and DF. Astrophys. J. Suppl. 103, 247-254.

Rotational structure: 

B = 616 365.2 MHz			 = 1.826 D

Poynter & Pickett. 20002
Lovas and Tieman 1974.
Jennings, D.A., Wells, J.S. 1988. Improved rotational constants for HF. J. Mol. Spect. 130, 267-268.
Hedderich, H.G., Walker, K., Bernath, P.F. 1991. An improved set of rotational constants for HF. J. Mol. Spect. 149, 314-316.

Astrophysical detections:

Planetary atmospheres:	IR (rovib. Venus)
Comets:	
Interstellar medium:	IR (ISO, Galactic Centre)
Extragalactic:

Neufeld, D.A., Zmuidzinas, J., Schilke, P., Phillips, T.G. 1997. Discovery of interstellar hydrogen fluoride. Astrophys. J. 488, L141-L144.

FeO	FeO	Iron Monoxide

5i	C∞v

Photodissociation rate:

Infrared electronic bands:
_________________________________________________________________________
band			S	A	g	        
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
A5+-X5	3948.
_________________________________________________________________________

Huber and Herzberg 1979. (No observation reported: indirect determination.)

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
		965.	410.	12.	2.3 10-4
_________________________________________________________________________

Pugh and Rao 1976.
Huber and Herzberg 1979.

Rotational structure: 

B = 15 493.5 MHz			 =  4.7 D

Cheung, A.S.-C., Gordon, R, Merer, A.J. 1981. Laser induced fluorescence and discharge emission spectra of FeO: evidence of a 5i ground state.  J. Mol. Spect. 87, 289-296.
Endo, Y., Saito, S., Hirota, E. 1984. Laboratory millimeter-wave spectrum of iron monoxide, FeO. Astrophys. J. 278, L131-L132.
Krockertskothen, T., Knockel, H., Tiemann, E. 1987. Molecular beam rotational spectroscopy of the X5 ground state of FeO. Molec. Phys. 62, 1031-1040.
Steimle, T.C., Nachman, D.F., Shirley, J.E., Merer, A.J. 1989. The permanent electric dipole moment of iron monoxide. J. Chem. Phys. 90, 5360-5363.
Allen, M.D., Ziurys, L.M., Brown, J.M. 1996. Chem. Phys. Lett. 257, 130.

Astrophysical detections:

Planetary atmospheres:	
Comets:	
Interstellar medium: radio (rot., Galactic Centre)
Extragalactic:

Merer, A.J., Walmsley, C, Churchwell, E. 1982. A search for interstellar and stellar iron monoxide. Astrophys. J. 256, 151-155. (Upper limits.)
Walmsley, C.M., Bachiller, R., Pineau des Forêts, G., Schilke, P. 2002. Detection of FeO toward Sagittarius B2. Astrophys. J. 566, L109-L112.

FeS	FeS	Iron Sulphide

	C∞v

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	
_________________________________________________________________________

Rotational structure: 

B = MHz		 = D

Astrophysical detections: none.

GeH4	GeH4	Germane

1A1	Td

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band		a)	Sb)	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	a1	2106.	na			s-str.
	e	931.	na			d-def.
	f2	2114.	1017.	47.	1.1 10-3	d-str.
	f2	819.				d-def.
_________________________________________________________________________

Shimanouchi I.
a) Smith et al. 1985, 1992.
b) GEISA  (3).

Rotational structure: spherical top, non-polar.

A = B = C = 80 820. MHz			 = 3.5 10-5 D (centrifugal distorsion induced)

Kreinev, W.A., Orv, B.J., Andresen, U., Oka, T. 1977. Measurement of the centrifugal distorsion dipole moment of GeH4 using a CO2 laser. Phys. Rev. A 15, 2298-2304.

Astrophysical detections:

Planetary atmospheres:	IR (rovib., Jupiter, Saturn)
Comets:	
Interstellar medium:	
Extragalactic:

HI	HI	Hydrogen Iodide

1+	C∞v

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
		2229.6	0.37a)	0.06	4.1 10-7	
_________________________________________________________________________

a) Pugh and Rao 1976. (to check)
Smith et al. 1985.
Huber and Herzberg 1979.
Guelachvili G., Niay P., Bernage P., 1981. Fourier transform high-resolution measurements on the 2-0, 3-0, 4-0, 5-0 infared absorption bands of HI and DI. J. Mol. Spect. 85, 253-270.

Rotational structure:

B =  192 659.9  MHz			 = 1.00 D (to check)

Landolt-Börnstein 1982.

Astrophysical detections: none

HK	KH	Potassium Hydride

1+	C∞v

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
		983.6		
_________________________________________________________________________

Huber and Herzberg 1979.

Rotational structure: 

B =  101 152.1 MHz			 =  8.13 D

Poynter & Pickett. 40005
Okabayashi, T., Tanimoto, M. 2000. Laboratory measurement of the J = 1-0 transitions of sodium hydride and potassium hydride. Astrophys. J. 543, 275-277.

Astrophysical detections:

Planetary atmospheres:	
Comets:
Interstellar medium:	
Extragalactic:

HLi	LiH	Lithium Hydride

1+	C∞v

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
		1054.8		
_________________________________________________________________________

Huber and Herzberg 1979.

Rotational structure:

B =  230 161.7  MHz			 = 5.88 D 

Poynter & Pickett. 8001
Plummer, G.M., Herbst, E., de Lucia, F.C. 1984. Submillimeter spectra and molecular constants of 6LiH, 7LiH, 6LiD, and L7iD. J. Chem. Phys. 81, 4893-4897.
Bellini, M., de Natale, P., Inguscio, M., Finh, E., Galli, D., Palla, F. 1994. Laboratory measurements of rotational transitions of lithium hydride in the far infrared. Astrophys. J. 424, 507-509.

Astrophysical detections: none

de Bernardi P. et al .1993. Search for LiH lines at high redshift. Astron. Astrophys. 269, 1-6.
Combes,, F., Wiklind, T. 1998. Search for LiH in the ISM towards B0218+357. Astron. Astrophys. 334, L81-L84. (Tentative detection.)

HMg	MgH	 Magnesium Hydride

2+	C∞v

Photodissociation rate:

Interstellar medium:	 = 3.3 10-10 s-1 (van Dishoeck 1988)

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
		1432.0
_________________________________________________________________________

Huber and Herzberg 1979.
Bernath, P.F., Black, J.H., Brault, J.W. 1985. The spectrum of magnesium hydride. Astrophys. J. 298, 375-381. (Derivation of the v(1-0) band from the A2-X2+ system.)
Lemoine, B., Demuynck, C., Destombes, J.L., Davies, P.B. 1988. Infrared diode laser spectra of MgH and MgD (X2+). J. Chem. Phys. 89, 673-677.

Rotational structure:

B =  171 976.2 MHz			 =  (1.275) D

Cologne 25502
Zink, L.R., Jennings, D.A., Evenson, K, Leopold, K.R. 1990. Laboratory measurements for the astrophysical identification of MgH. Astrophys. J. 359, L65-L66.
Ziuris, L.M., Barclay, W.L., Anderson, M.A. 1993. The millimeter-wave spectrum of the MgH and MgD radicals. Astrophys. J. 402, L21-L24.

Astrophysical detections: none.

HMg+	MgH+	Magnesium Hydride Ion

1+	C∞v

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
		1635.2
_________________________________________________________________________

Huber and Herzberg 1979.

Rotational structure:

B =  6.387 cm-1			 =  D

Astrophysical detections: none.

HMgO	MgOH	Magnesium Hydroxide

2	C∞v

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
						str.
						bend.
						str.
_________________________________________________________________________

Rotational structure: linear.

B = 14 822.52 MHz		 = D

Ziurys, L.M., Fletcher, D.A., Anderson,M.A., Barclay, W.L. 1996. Rest frequencies for alkaline earth hydroxide radicals (X2+). Astrophys. J. Suppl. 102, 425-434.

Astrophysical detections: none.

HN	NH	Nitrogen Hydride		Imidyl Radical

3-	C∞v

Photodissociation rate:

By quiet Sun at 1 AU:	= 1.3-2.3 10-4 s-1 (Singh, P.D., Gruenwald, R.B. 1987. The photodissociation lifetimes of the NH radical in comets. Astron. Astrophys. 178, 277-282.)
Interstellar medium:	 = 3.3 10-10 s-1 (van Dishoeck 1988)

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
		3125.6	(0.065 D)	40.	1.9 10-4
_________________________________________________________________________

Huber and Herzberg 1979.
Smith et al. 1992.
Meyer, W., Rosmus, P. 1975. PNO-CI and CEPA studies of electron correlation effects. III. Spectroscopic constants and dipole moment functions for the ground states of the first-row and second-row diatomic hydrides. J. Chem. Phys. 63, 2356-2375.
Boudjaadar, D., Brion, J., Chollet, P., Guelachvili, G., Vervloet, M. 1986. Infrared emission spectra of five v = 1 sequence bands of the free radical NH in its X3- state. J. Mol. Spect. 119, 352-366.
Chackerian, C., Guelachvili, G., Lopez-Pineiro, A. 1989. Rovibrational intensities for the v = 1 bands of the X3- NH radical. J. Chem. Phys. 90, 641-649.

Rotational structure:

B =  489 959.3 MHz			 =  1.389 D

Poynter & Pickett. 15001
Van den Heuvel, F.C., Meerts, W.L., Dynamus, A. 1982. Rotational hyperfine spectrum of the NH radical around 1 THz. Chem. Phys. Lett. 92, 215-218.
Klaus, T., Takano, S., Winnewisser, G. 1997. Laboratory measurement of the N = 1–0 rotational transition of NH at 1 THz. Astron. Astrophys. 322, L1-L4.

Astrophysical detections:

Sun:		IR (rot., rovib.)
Planetary atmospheres:	
Comets:	visible (electronic A3i-X3-)
Interstellar medium:	visible (electronic A3i-X3-)
Extragalactic:

Swings, P., Elvey, C.T., Babcock, H.W. 1941. The spectrum of comet Cunningham 1940c. Astrophys. J. 94, 320-343.
Meyer, D, Roth, K.C. 1991. Discovery of interstellar NH. Astrophys. J. L. 376, L49-L52.
Grevesse, N., Lambert, D.L., Sauval, A.J., van Dishoeck, E.F., Farmer, C.B., Norton, R.H. 1990. Identification of solar vibration-rotation lines of NH and the solar nitrogen abundance. Astron. Astrophys. 232, 225-230.
Geller, M., Sauval, A.J., Grevesse, N., Farmer, C.B., Norton, R.H. 1991. First identification of pure rotation lines of NH in the infrared solar spectrum. Astron. Astrophys. 249, 550-552.

HN+	NH+	Nitrogen Hydride Ion

2r	C∞v

Photodissociation rate:

Interstellar medium:	 = 3.9 10-11 s-1 (van Dishoeck 1988)

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
		2922.
_________________________________________________________________________

Huber and Herzberg 1979.
Kasunoki, I., Ottinger, C. 1984. Spectroscopy and dynamics of the chemiluminescent reactions N+ (1D) + H2  NH+ (B2) + H and N+ (1D) + D2  ND+ (B2) + D. J. Chem. Phys. 80, 1872-1881.

Rotational structure:

B =  15.35 cm-1			 =  D

Verhoeve, P., ter Meulen, J.J., Meerts, W.L., Dynamus, A. 1986. Observation of the lowest rotational transition of NH+ with resolved hyperfine structure. Chem. Phys. Letters. 132, 213-217.

Astrophysical detections: none.

HNO	HNO	Nitroxyl	

1A'	Cs

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	a'	2683.9				NH str.
	a'	1565.3				bend.
	a'	1500.8				NO str.
_________________________________________________________________________

Jacox 1988. (2 and 3 are inverted)
Mélen, F., Herman, M. 1992. Vibrational bands of HxNyOz molecules. J. Phys. Chem. Ref. Data 21, 831-881.
Johns, J.W.C., McKellar, A.R.W. 1977. Laser Stark spectroscopy of the fundamental bands of HNO (2 and 3) and DNO (1 and 2). J. Chem. Phys. 66, 1217-1224.
Johns, J.W.C., McKellar, A.R.W., Weinberger, E. 1983. The infrared spectrum of HNO. Can. J. Phys. 61, 1106-1119.
Petersen, J.C., Vervloet, M. 1987. Infrared emission spectrum of HNO: the 1 band. Chem. Phys. Lett. 141, 499-502.

Rotational structure:

A = 553 898.9 MHz			 =  1.03 D
B =  42 312.9 MHz			 =  1.31 D
C =  39 165.1 MHz

Lovas 1978.
Sastry, K.V.L., Helminger, P., Plummer, G, Herbst, E., De Lucia, F.C. 1984. Laboratory millimeter and submillimeter spectra of HNO and DNO. Astrophys. J. Suppl. Series 55, 563-570.

Astrophysical detections:

Planetary atmospheres:	
Comets:
Interstellar medium:	radio (rot.)
Extragalactic:

Ulich, B.L., Hollis, J, Snyder, L.E. 1977. Radio detection of nitroxyl(HNO): the first interstellar NO bond. Astrophys. J. 217, L105-L108. (To be confirmed.)
Hollis, J, Snyder, L.E., Ziurys, L, McGonagle, D. 1990. Confirmation of interstellar HNO in the galactic center. Bull. Amer. Astron. Soc. 22, 799.

HNSi	HNSi	Iminosilicon

	C∞v

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
		3588.4		(65.)	2.4 10-4	NH str.
		(523.)		(9.)	3.5 10-4	bend.
		(1198.)		(9.)	1.4 10-4	NSi str.
_________________________________________________________________________

Jacox 1984.
Elhanine, M., Farrenq, R., Guelachvili, G. 1991. HNSi; 1 emission band by high resolution Fourier transform spectroscopy. J. Chem. Phys. 94, 2529-2531.
Chong, D.P., Papousek, D., Yit-Tsong Chen, Jensen, P. 1993. Theoretical vibrational and rotational energies and intensities of the HNSi and DNSi molecules. J. Chem. Phys. 98, 1352-1357.

Rotational structure: linear.

B = 19 018.8 MHz			 = (0.35) D

Bogey, M., Demuynck, C., Destombes, J.L., Walters, A. 1991. Millimeter and sub-millimeter wave spectrum of HNSi. Astron. Astrophys. 244, L47-L49.

Astrophysical detections:

Planetary atmospheres:	
Comets:	
Interstellar medium:	radio (rot., tentative)
Extragalactic:

Turner, B.E. 1992. What species remain to be seen ? In Astrochemistry of Cosmic Phenomena, IAU Symp. No 150, Edt P.D. Singh, Kluwer Academic Publ., p. 181-192. (Tentative detection.)

HN2+	N2H+	Protonated Nitrogen

	C∞v

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
		3234.0	1880.a)	600.	2.6 10-3	NH str.
		685.2				bend.
		2257.9				NN str.
_________________________________________________________________________

Jacox 1990.
Gudeman, C.S., Begeman, M.H., Pfaff, J., Saykally, R.J. 1983. Velocity-modulated infrared laser spectroscopy of molecular ions: the 1 band of HNN+. J. Chem. Phys. 78, 5837-5838.
Foster, S.C., McKellar, A.R.W., 1984. The 3 fundamental bands of HN2+, DN2+, and DCO+. J. Chem. Phys. 81, 3424-3428.
Sears, T.J., 1985. Observation of the 2 (bending) fundamental of the HN2+ ion at 14.6 m. J. Opt. Soc. Am. B 2, 786-789.
a) Keim, E.R., Polak, M.L., Owrutsky, J.C., Coe, J.V., Saykally, R.J. 1990. Absolute infrared vibrational band intensities of molecular ions determined by direct laser absorption spectroscopy in fast ion beams. J. Chem. Phys. 93, 3111-3119.
Botschwina, P. 1984. An ab initio calculation of the frequencies and infrared intensities of the stretching vibrations of HN2+. (Gives band strengths of 20257 and 142 cm2/mol for 1 and 3; what is this unit ?)

Rotational structure: linear.

B =  46 586.9 MHz			 =  3.4 D

Poynter & Pickett. 29005
Ho, W.C., Pursell, C.J., Weliky, D.P., Takagi, K., Oka, T. 1990. Infrared-microwave double resonance spectroscopy of molecular ions: HN2+. J. Chem. Phys. 93, 87-93.
Havenith, M., Zwart, E., Meerts, W.L., ter Meulen, J.J. 1990. Determination of the electric dipole moment of HN2+. J. Chem. Phys. 93, 8446-8451.
Caselli P., Myers P.C., Thaddeus P. 1995. Radio-astronomical spectroscopy of the hyperfine structure of N2H+. Astrophys. J. 455, L77-L80.
Gerin, M., Pearson, J.C., Roueff, E., Falgarone, E., Phillips, T.G. 2001. Determination of the hyperfine structure of N2D+. Astrophys. J. 551, L193-L197. 

Astrophysical detections:

Planetary atmospheres:	
Comets:
Interstellar medium:	radio (spin)
Extragalactic:	radio (spin)

Turner, B.E. 1974. U93.174: a new interstellar line with quadrupole hyperfine splitting. Astrophys. J. 193, L83-L87.
Green, S., Montgomery, J.A. Jr., Thaddeus, P. 1974. Tentative identification of U93.174 as the molecular ion N2H+. Astrophys. J. 193, L89-L91.
Mauersberger, R., Henkel, C. 1989. Extragalactic N2H+. IAU Circ. No 4889.

HNa	NaH	Sodium Hydride

1+	C∞v

Photodissociation rate:

Interstellar medium:	 = 5.2 10-9 s-1 (van Dishoeck 1988)

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
		1132.7		50.	8.3 10-4
_________________________________________________________________________

Huber and Herzberg 1979.
Maki, A.G., Olson, W.B. 1989. Infrared spectrum of sodium hydride. J. Chem. Phys. 90, 6887-6892. (= 0.31±0.05 D for v = 1-0.)

Rotational structure: 

B =  144 952.7 MHz			 =  6.47 D

Poynter & Pickett. 25002
Sastry, K.V.L.N., Herbst, E., De Lucia, F.C. 1981. Laboratory measurements of millimeter and submillimeter transitions of sodium hydride and sodium deuteride. Astrophys. J. 248, L53-L55.
Okabayashi, T., Tanimoto, M. 2000. Laboratory measurement of the J = 1-0 transitions of sodium hydride and potassium hydride. Astrophys. J. 543, 275-277.

Astrophysical detections:

Planetary atmospheres:	
Comets:
Interstellar medium:	
Extragalactic:

Turner, B.E. 1991. Observations and chemistry of interstellar refractory elements. Astrophys. J. 376, 573-598. (Upper limit.)

HNaO	NaOH	Sodium Hydroxide

A	C∞v

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band		s	S	A	g	mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
1						str.
2						bend.
3						str.
_________________________________________________________________________

Rotational structure: linear.

B =  12 567.1 MHz			 =  6.83 D (Poynter & Pickett assume 1 D.)

Poynter & Pickett. 40002
Lovas 1978.
Pearson, E.F., Trueblood, M.B. 1973. Laboratory detection of the microwave spectrum of sodium hydroxide. Astrophys. J. 179, L145-L146.
Kawashima, Y., Suenram, R.D., Hirota, E. 1996. Determination of nuclear quadrupole coupling constants of NaOH, KOH, RbOH, and CsOH and electric dipole moment of NaOH. J. Mol. Spect. 175, 99-103.

Astrophysical detections:

Planetary atmospheres:	
Comets:
Interstellar medium:	
Extragalactic:

Hollis, J, Rhodes, P.J. 1982. Detection of interstellar sodium hydroxide in self-absorption toward the galactic center. Astrophys. J. 262, L1-L5. (This "detection" is a misidentification: see the discussion by Cernicharo and Guélin, 1987, Astron. Astrophys. 183, L10-L12.)
Turner, B.E. 1991. Observations and chemistry of interstellar refractory elements. Astrophys. J. 376, 573-598. (Upper limit.)

HO	OH	Hydroxyl Radical

2i	C∞v

Photodissociation rate:

By quiet Sun at 1 AU:	= 7.5 10-6 s (theor.) 2.0 10-5 s-1 (exper.) (Huebner et al. 1992)
	= 5.2-8.3 10-6 s-1 (van Dishoeck E.F., Dalgarno A. 1984. The dissociation of OH and OD in comets by solar radiation. Icarus 59, 305-313)
	= 2.5-5.6 10-6 s-1 (Schleicher D.G., A'Hearn M.F. 1988. The fluorescence of cometary OH. Astrophys. J. 331, 1058-1077) (Depending upon heliocentric radial velocity.)
Interstellar medium:	 = 2.9 10-10 s-1 (van Dishoeck 1988);  = 3.5 10-10 s-1 (Roberge et al. 1991)

Vibrational bands:
_________________________________________________________________________
band		a)	S	Ab)	g
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
		3568.0	43.	15.9	6.0 10-5
_________________________________________________________________________

a) Huber and Herzberg 1979.
GEISA (rot, 1-0, others).
Smith et al. 1985, 1992.
Mies F.H. 1974. Calculated vibrational transition probabilities of OH (X2). J. Mol. Spect. 53, 150.
Coxon, J.A. 1980. Optimum molecular constants and term values for the X2 (<6) and A2+ (n<4) states of OH. Can. J. Phys. 58, 933-949.
Gillis J.R., Goldman A. 1981. Spectral line parameters for the X2-X2 (1,0) bands of OH and ClO for atmospheric applications. J. Quant. Spect. Rad. Transfer 26, 23-31. Erratum 26, 547.
Goldman A. 1982. Line parameters for the atmospheric band system of OH. Appl. Optics 21, 2100‑2102.
b) Nelson, D.D. Jr., Schiffman, A., Nesbitt, D.J., Orlando, J.J., Burkholder, J.B. 1990. H + O3 Fourier-transform infrared emission and laser absorption studies of OH (X2) radical: an experimental dipole moment function and state-to-state Einstein A coefficients. J. Chem. Phys. 93, 7003‑7019.
Mélen, F., Sauval, A.J., Grevesse, N., Farmer, C.B., Servais, C., Delbouille, L., Roland, J. 1995. A new analysis of the OH radical spectrum from solar infrared observations. J. Mol. Spect. 174, 490-509.

Rotational structure:

B = 556 140.9 MHz			 = 1.667 D		-doubling

Poynter & Pickett. 17001
Lovas and Tieman 1974.
Beaudet, R.A., Poynter, R.L. 1978. Microwave spectra of molecules of astrophysical interest. XII. Hydroxyl radical. J. Phys. Chem. Ref. Data 7, 311-362.
Brown, J, Schubert, J.E., Evenson, K, Radford, H.E. 1982. The far-infrared spectrum of the OH radical. Astrophys. J. 258, 899-903.
Blake, G.A., Farhoomand, J., Pickett, H.M. 1986. The far-infrared rotational spectrum of X2 OH. J. Mol. Spect. 115, 226-228.
Hardwick, J.L., Whipple, G.C. 1991. Far infrared emission spectrum of the OH radical. J. Mol. Spect. 147, 267-273. (Laboratory rotation line measurements.)

HO	OH	(continued)

Astrophysical detections:

Planetary atmospheres:	
Comets:	UV (electronic A2+-X2i), radio (-doubling), IR (rot., rovib.)
Interstellar medium:	UV (electronic diffuse clouds), IR (rot.), radio (-doubling)
Extragalactic:	radio (-doubling)

Weinreb, S., Barrett, A.H., Meeks, M.L., Henry, J.C. 1963. Radio observations of OH in the interstellar medium. Nature 200, 829-831.
Weliachew, L. 1971. Detection of interstellar OH in two external galaxies. Astrophys. J. 167, L47.
Snow, T.P. 1976. The detection of interstellar OH absorption in the Zeta Ophiuchi cloud. Astrophys. J. 204, L127-L130.
Storey, J.W.V., Watson, D, Townes, C.H. 1981. Detection of interstellar OH in the far-infrared. Astrophys. J. 244, L27-L30.

Swings, P., Elvey, C.T., Babcock, H.W. 1941. The spectrum of comet Cunningham 1940c. Astrophys. J.  94, 320-343.
Biraud, F. Bourgois, G., Crovisier, J., Fillit, R., Gérard, E., Kazès, I. 1974. OH observations of comet Kohoutek (1973f) at 18 cm wavelength. Astron. Astrophys. 34, 163-166.
Stacey, G.L., Lugten, J.B., Genzel, R. 1987. Detection of OH rotational emission from comet P/Halley in the far-infrared. Astron. Astrophys. 187, 451-454.

d-HO	OD	d-Hydroxyl Radical

2i	C∞v

Photodissociation rate:

By quiet Sun at 1 AU:	= 2.3 10-6 s-1 (van Dishoeck E.F., Dalgarno A. 1984. The dissociation of OH and OD in comets by solar radiation. Icarus 59, 305-313)

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
		2632.1
_________________________________________________________________________

Huber and Herzberg 1979.
Abrams, M.C., Davis, S.P., Rao, M.L.PL-., Engleman, R., Jr. 1994. High-resolution Fourier transform spectroscopy of the vibration-rotation spectrum of the OD radical. J. Mol. Spect. 165, 57-74.

Rotational structure:

B = 296 312. MHz			 = 1.653 D		-doubling

Poynter & Pickett. 18001

Astrophysical detections: none.

HO+	OH+	Hydroxyl Ion

3-	C∞v

Photodissociation rate:

Interstellar medium:	 = 8.5 10-12 s-1 (van Dishoeck 1988)

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
		2956.4	(0.181 D)	265.	1.3 10-3
_________________________________________________________________________

Huber and Herzberg 1979.
Werner, H.J., Rosmus, P., Reinsch,E.-A. 1983. Molecular properties from MCSCF-SCEP wave functions. I. Accurate dipole moment functions of OH, OH-, and OH+. J. Chem. Phys. 79, 905‑916.

Rotational structure: 

B = 492 345.84 MHz			 = (2.32) D

Bekooy, J.R., Verhoeve, P., Meerts, W.L., Dynamus, A. 1985. Submillimeter spectroscopy on OH+: the rotational transition at 1 THz. J. Chem. Phys. 82, 3868-3869.

Astrophysical detections:

Planetary atmospheres:	
Comets:	visible (electronic A3i-X3-)
Interstellar medium:	
Extragalactic:

Swings, P., Page, T.L. 1950. The spectrum of comet Bester (1947k). Astrophys. J. 111, 530-534.

HOP	HPO	

1A"	Cs

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	a'					PH str.
	a'	565.6				b end.
	a'	857.7				PO str.
_________________________________________________________________________

Jacox 1990.

Rotational structure:

A = 265 307.  MHz			 =  (2.33) D
B =  21 074.7 MHz			 =  (0.51) D
C =  19 464.5 MHz

Cologne 48506
Saito, S., Endo, Y., Hirota, E. 1986. The microwave spectrum of an unstable molecule: HPO. J. Chem. Phys. 84, 1157-1159.

Astrophysical detections:

Planetary atmospheres:	
Comets:
Interstellar medium:
Extragalactic:

Turner, B.E., Tsuji, T., Bally, J., Guélin, M., Cernicharo, J. 1990. Phosphorus in the dense interstellar medium. Astrophys. J. 365, 569-585. (Upper limits.)

HOSi+	HOSi+	

1+	C∞v

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
		3662.				OH str.
						bend.
		1127.				SiO str.
_________________________________________________________________________

Jacox 1990.

Rotational structure: linear.

B = 18 260.7  MHz			 < 0.17 D

Warner, H.E., Fox, A., Amano, T., Bohme, D.K. 1989. The observation of the 1 fundamental band of HOSi+ and DOSi+. J. Chem. Phys. 91, 5310-5312.
Moazzen-Ahmadi, McKellar, A.R.W., Warner, H.E., Amano, T. 1989. Observation of the 3 fundamental band of HOSi+ and DOSi+. J. Chem. Phys. 91, 5313-5315.

Astrophysical detections:

Planetary atmospheres:	
Comets:
Interstellar medium:
Extragalactic:

Turner, B.E. 1991. Observations and chemistry of interstellar refractory elements. Astrophys. J. 376, 573-598. (Upper limit.)

HO2	HO2	Hydroperoxyl Radical

2A"	Cs

Photodissociation rate:

By quiet Sun at 1 AU:	= 6.6 10-3 s-1 (Huebner et al. 1992)

Infrared electronic bands:
_________________________________________________________________________
band			S	A	g	        
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
A2A'-X2A"	7029.7
_________________________________________________________________________

Jacox 1988. (1.13 to 2.12 m)
Hunziker, H.E., Wendt, H.R. 1976. Electronic absorption spectra of organic peroxyl radicals in the near infrared. J. Chem. Phys. 64, 3488-3490.
Tuckett, R.P., Freedman, P.A., Jones, W.J. 1979. The emission bands of HO2 between 1.43 and 1.51 m. Mol. Phys. 37, 379-401.

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	a'	3436.2	20.	7.3	2.ç 10-5	OH str.
	a'	1391.7	58.	3.5	4.5 10-5	bend.
	a'	1097.6	30.	1.1	1.9 10-5	OO str.
_________________________________________________________________________

ATMOS.
Smith et al. 1985, 1992.
Jacox 1990.
Zahniser, M.J., Stanton, A.C. 1984. A measurement of the vibrational band strength for the 3 band of the HO2 radical. J. Chem. Phys. 80, 4951-4960.
Nelson, D.D., Jr.,  Zahniser, M.S. 1991. Diode laser spectroscopy of the 3 vibration of the HO2 radical. J. Mol. Spect. 150, 527-534. (S = 35 cm-2 atm-1)
Burkholder, J.B., Hammer, P.D., Carleton, J.H., Towle, J.P., Brown, J.M. 1992. Fourier transform spectroscopy of the 2 and 3 bands of HO2. J. Mol. Spect. 151, 493-512.

Rotational structure: 

A = 610 273. MHz			A = 1.41 D
B =  33 514. MHz			B = 1.54 D
C =  31 672. MHz

Poynter & Pickett. 33001
Chance, K.V., Park, K., Evenson, K.M., Zink, L.R., Stroh, F. 1995. Far-infrared spectrum of HO2. J. Mol. Spect. 172, 407-420.
Chance, K.V., Park, K., Evenson, K.M., Zink, L.R., Stroh, F. Fink, E.H., Ramsay, D.A. 1997. Improved molecular constants for the ground state of HO2. J. Mol. Spect. 183, 418.

Astrophysical detections: none.

HP	PH	Phosphorus Hydride

3-	C∞v

Photodissociation rate:

Interstellar medium:	 = 3.8 10-10 s-1 (van Dishoeck 1988)

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
		2276.2
_________________________________________________________________________

Huber and Herzberg 1979.
Ram, R.S., Bernath, P.F. 1987. Infrared Fourier transform spectroscopy of PH. J. Mol. Spect. 122, 275-281.
Ram, R.S., Bernath, P.F. 1996. Fourier-transform infrared emission spectroscopy of ND and PH. J. Mol. Spect. 176, 329-336.

Rotational structure: 

B =  252 200.8 MHz			 =  (0.396) Da)

Cologne 32501
a) Meyer, W., Rosmus, P. 1975. PNO-CI and CEPA studies of electron correlation effects. III. Spectroscopic constants and dipole moment functions for the ground states of the first-row and second-row diatomic hydrides. J. Chem. Phys. 63, 2356-2375.

Astrophysical detections: none.

HS	SH	Sulphur Hydride

2i	C∞v

Photodissociation rate:

Interstellar medium:		 = 6.5 10-10 s-1 (van Dishoeck 1988)

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
		2598.8
_________________________________________________________________________

Huber and Herzberg 1979.
Bernath, P.F., Amano, T., Wong, M. 1983. Observation of the v = 1-0 band of SH (X2) with a difference frequency laser. J. Mol. Spect. 98, 20-26.
Winkel, P.J. Jr., Davis, S.P. 1984. Lambda-doubling  in the infrared spectrum of SH. Can. J. Phys. 62, 1420-1425. (Bands v = 1-0, 2-1, 3-2.)
Benidar, A., Farrenq, R., Guelachvili, G. 1991. "Anomalous" rovibrational intensities in the v = 1 band of SH (X2). J. Mol. Spect. 147, 383-391.
Ram, R.S., Bernath, P.F., Engleman, R., Jr, Brault, W.J. 1995. Fourier transform infrared emission spectroscopy of SH. J. Mol. Spect. 172, 34-42.

Rotational structure:

B =  283 612.2 MHz				 =  0.758 D		- doubling

Poynter & Pickett. 33003
Meerts, W.L., Dynamus, A. 1974. The hyperfine -doubling spectrum of sulfur hydride in the 21/2 state. Astrophys. J. 187, L45-L46.
Ashworth, S.H., Brown, J.M. 1992. The far-infrared laser magnetic resonance spectrum of the SH radical. J. Mol. Spect. 153, 41-58.
Morino, I., Kawaguchi, K. 1995. Fourier-transform far-infrared spectroscopy of the SH radical. J. Mol. Spect. 170, 172-177.

Astrophysical detections: .

Planetary atmospheres:	
Comets:
Interstellar medium:	IR (circumstellar envelope)
Extragalactic:	

Yamamura, I., Kawagushi, K., Ridgway, S.T. 2000. Identification of SH  = 1 ro-vibrational lines in R Andromedae. Astrophys. J. 528, L33-L36.

HS+	SH+	Sulphur Hydride Ion

3-	C∞v

Photodissociation rate:

Interstellar medium:		 = 1.9 10-10 s-1 (van Dishoeck 1988)

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
		2449.0
_________________________________________________________________________

Huber and Herzberg 1979.
Civis, S., Blom, C.O., Jensen, P. 1990. Diode laser infrared spectra and potential energy curve for SH+. J. Mol. Spect. 138, 69-78.

Rotational structure:

B =  9.133 cm-1			 =  D

Astrophysical detections: none.

HSi	SiH	Silicon Hydride

2r	C∞v

Photodissociation rate:

Interstellar medium:	 = 1.9 10-9 s-1 (van Dishoeck 1988)

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
		1970.4	
_________________________________________________________________________

Huber and Herzberg 1979.
Betrencourt, M., Boudjaar, D., Chollet, P., Guelachvili, G., Morillon-Chapry, M. 1986. Infrared emission spectrum of the radical 28SiH: observation and analysis of the rovibrational bands 1-0, 2-1 and 3‑2 in the X2 ground state. J. Chem. Phys. 84, 4121-4126.
Seebass, W., Werner, J., Urban, W., Comben, E.R., Brown, J 1987. The infrared spectrum of five isotopic forms of the SiH radical by laser magnetic resonance. Mol. Phys. 62, 161-174.

Rotational structure:

B = 7.4996 cm-1			 = (0.124) D

Lewerenz, M., Bruna, P.J., Peyerimholf, S.D., Brienker, R.J. 1983.XX.  Molec. Phys. 49, 1. (dipolar moment).
Brown, J.M., Curl, R.F., Evenson, K.M. 1984. XXX.  J. Chem. Phys. 81, 2884.
Brown, J.M., Curl, R.F., Evenson, K.M. 1985. The microwave and far-infrared spectra of the SiH radical. Astrophys. J. 292, 188-191.

Astrophysical detections: none.

Schilke, P., Benford, D.J., Hunter, T.R., Lis, D.C., Phillips, T.G. 2000. A line survey of Orion-KL from 607 to 725 GHz. Astrophys. J. Suppl. Series. 132, 281-364 (tentative detection).

H2	H2	Dihydrogen

1g	D∞h

Photodissociation rate:

By quiet Sun at 1 AU:	= 1.1510-7 s-1 (Huebner et al. 1992)
Interstellar medium:	 = 4.0 10-11 s-1 (van Dishoeck 1988)

Vibrational bands:
_________________________________________________________________________
band		a)	S	Ab)	g	mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
		4158.5	na	8.5 10-7	2.5 10-12
_________________________________________________________________________

a) Huber and Herzberg 1979.
Smith et al. 1985, 1992.
b) Turner, J., Kirby-Docken, K., Dalgarno, A. 1977. The quadrupole vibration-rotation transition probabilities of molecular hydrogen. Astrophys. J. Suppl. Series 35, 281-292. (Calculated for the whole ro-vibrational system up to v = 14 and J = 20.)
Bragg, S.L., Brault, J.W., Smith, W.H. 1982. Line positions and strengths in the H2 quadrupole spectrum. Astrophys. J. 263, 999-1004.

Rotational structure:

B = 59.33451 cm-1			 = 0

Jennings, D.E., Brault, J.W. 1982. Laboratory measurements of the pure rotation S(2) and S(3) transitions in H2. Astrophys. J. 256, L29-L31.
Jennings, D.E., Brault, J.W. 1983. The ground state of molecular hydrogen. J. Mol. Spect. 102, 265-272.
Reuter, D.C., Sirota, J.M. 1994. Line strength and self-broadening coefficient of the pure-rotational S(1) quadrupole line in H2. Astrophys. J. 428, L77-L79. (S = 7 10-8 cm-2 atm-1)

Astrophysical detections:

Planetary atmospheres:	
Comets:	UV (elect.)
Interstellar medium:	UV (electr. H2 Lyman band diffuse clouds), IR (rovib., rot.)
Extragalactic:	IR (rovib.)

Carruthers, G.B. 1970. Rocket observations of interstellar molecular hydrogen. Astrophys. J. 161, L81-L85.
Thompson, R.I., Lebofsky, M.J., Rieke, G.H. 1978. The 2-2.5 micron spectrum of NGC 1068: a detection of extragalactic molecular hydrogen. Astrophys. J. 222, L49-L53.
Beck, S.C., Lacy, J.H., Geballe, T.R. 1979. Detection of the 12.28 micron rotational line of molecular hydrogen in the Orion molecular cloud. Astrophys. J. 234, L213-L216.
Feldman, P.D., Weaver, H.A., Burgh, E.B. 2001. Comet C/2001 A2 (LINEAR). IAU Circ. 7681.

d-H2	HD	

1+g	C∞v

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band		a)	S	A	g	mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
		3629.8		3.5 10-5	1.3 10-10
_________________________________________________________________________

a) Huber and Herzberg 1979.
Smith et al. 1985.
Abgrall, H., Roueff, E., Viala, Y. 1982. Vibration-rotation transition probabilities for the ground electronic X1+ state of HD. Astron. Astrophys. Suppl. 50, 505-522.
McKellar, A.R.W., Rich, N.H. 1984. Interference effects in the spectrum of HD: II The fundamental band of HD-rare gas mixtures. Can. J. Phys. 62, 1665-1672.

Rotational structure:

B = 1 339 100 MHz			 = 0.00076 D

Poynter & Pickett. 3001
Nelson, J.B., Tabisz, G.C. 1982. New spectroscopic determination of the dipole moment of HD in the ground vibrational state. Phys. Rev. Lett. 48, 1393.
McKellar, A.R.W. 1986. Interference effects in the spectrum of HD: IV The pure rotational band at room temperature. Can. J. Phys. 64, 227-231.
Evenson, K, Jennings, D.A., Brown, J, Zink, L.R., Leopold, K.R., Vanek, M.D., Nolt, I.G. 1988. Frequency measurement of the J = 1-0 rotational transition of HD. Astrophys. J. 330, L135‑L136.

Astrophysical detections:

Planetary atmospheres:	
Comets:
Interstellar medium:	UV (electronic, diffuse clouds), IR (Orion)
Extragalactic:	

Spitzer, L., Drake, J.F., Jenkins, E.B., Morton, D.C., Rogerson, J.B., York, D.G. 1973. Spectrophotometric results from the Copernicus satellite. IV. molecular hydrogen in interstellar space. Astrophys. J. 181, L116-L121.
Wright, C.M., van Dishoeck, E., Cox, P., Sidher, S., Kessler, M.F. 1999. Infrared Space Observatory-long wavelength spectrometer detection of the 112 micron HD J = 1-0 line toward the Orion Bar. Astrophys. J. 515, L29-L33.  

H2N	NH2	Aminyl Radical

2B1	C2v

Photodissociation rate:

By quiet Sun at 1 AU:	= 2.1 10-6 s-1 (Huebner  et al.1992)
	 = 3.0 10-5 s-1 (van Dishoeck 1990, quoted by Wyckoff, S., Tegler, S.C., Engel, L. 1991. Ammonia abundance in four comets. Astrophys. J. 368, 279-286)
Interstellar medium:	 = 5.0 10-10 s-1 (van Dishoeck 1988);  = 3.9 10-10 s-1 (Roberge et al. 1991)

Vibrational bands:
_________________________________________________________________________
band			S	A	g	mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	a1	3219.4				s-str.
	a1	1497.3				bend.
	b1	3301.1				a-str.
_________________________________________________________________________

Herzberg III.
Jacox 1990.
Amano, T., Bernath, P.F., McKellar, A.R.W. 1982. Direct observation of the 1 and 3 fundamental bands of NH2 by difference frequency laser spectroscopy. J. Mol. Spect. 94, 100-113.
Burkholder, J.B., Howard, C.J., McKellar, A.R.W. 1988. Fourier transform infrared spectrum of the 2 band of the NH2 radical. J. Mol. Spect. 127, 415-424.
McKellar, A.R.W., Vervloet, M., Burkholder, J.B., Howard, C. 1990. A combined analysis of the 1, 3 and 22 vibrational states of the NH2 radical using Fourier transform absorption and emission data. J. Mol. Spect. 142, 319-335.

Rotational structure:

A =  710 302.1 MHz
B =  388 288.9 MHz			B = 1.82  D
C =  245 013.9 MHz 

Cologne 16501
Lovas 1978.
Charo, A., Sastry, K.V.L.N., Herbst, E., De Lucia, F.C. 1981. Laboratory measurements of millimeter and submillimeter rotational transitions of NH2. Astrophys. J. 244, L111-L112.
Ozeki, H., Saito, S. 1998. Far-infrared laser sideband spectroscopy of the NH2radical. J. Mol. Spect. 192, 183-190.

Astrophysical detections:

Planetary atmospheres:	
Comets:	visible (electronic A2A1-X2B1), IR (rovib.)
Interstellar medium:	radio (rot.)
Extragalactic:

Swings, P., McKellar, A., Minkowski, R. 1943. Cometary emission spectra in the visual region. Astrophys. J. 98, 142-152.
van Dishoeck, E.F., Jansen, D.J., Schilke, P., Phillips, T.G. 1993. Detection of the interstellar NH2 radical. Astrophys. J. 416, L83-L86.

H2N2	N2H2	Diazine
		Diimine

1Ag	C2h

This is trans-N2H2, only stable at low temperatures. cis-N2H2 and isodiazine H2NN are still less stable.

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	ag	(3128.)				NH str.
	ag	(1583.)				NH bend.
	ag	(1529.)				NN str.
	au	1288.6				torsion
	bu	3120.3				NH str.
	bu	1316.4				NH bend.
_________________________________________________________________________

Jacox 1988.

Rotational structure: 

A = 10.000 cm-1			A =  D
B =  1.304 cm-1			B =  D
C =  1.150 cm-1			C =  D

Astrophysical detections: none.

H2O	H2O	Water

1A1	C2v

Photodissociation rate:

By quiet Sun at 1 AU:  = 1.2 10-5 s-1 (Huebner et al.1992)
	= 1.2610-5 s-1 (Crovisier, J.1989. The photodissociation of water in cometary atmospheres. Astron. Astrophys. 213, 459)
Interstellar medium:		 = 5.5 10-10 s-1 (van Dishoeck 1988);  = 5.9 10-10 s-1 (Roberge et al. 1991)

Vibrational bands:
_________________________________________________________________________
band			S	A	g	mode
	cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	a1	3657.0	12.1	4.9	0.18 10-4	s-str.
	a1	1594.7	257. 	19.9	2.21 10-4	bend.
	b1	3755.9	171.7	73.6	2.57 10-4	a-str.
_________________________________________________________________________

Shimanouchi I.
GEISA (rot., 1, 2, 3, others).
Smith et al. 1985, 1992.
Guelachvili and Rao I, II.
Many studies and compilations were devoted to water. Especially AFGL, GEISA and:
Flaud J.-M., Camy-Peyret, C., Toth, R.A. 1981. Water vapour line parameters from microwave to medium infrared. Pergamon Press.

Viti, S.R., Tennyson, J., Polyansky, O.L. 1997. A spectroscopic line list for hot water. Mon. Not. R. Astron. Soc. 287, 79-86. Available from http://marvin.phys.ucl.ac.uk/home.html or anonymous ftp to jonny.phys.ucl.ac.uk/pub/astrodata/water/vtp1.
Partridge, H. , Schwenke, D.W.  1997)  The determination of an accurate isotope dependent potential energy surface for water from extensive ab initio calculations and experimental data.  J. Chem. Phys. 106, 4618-4639. Also http://george.arc.nasa.gov/~dschwenke/

Rotational structure:

A = 835 840.288 MHz
B = 435 341.717 MHz		B = 1.855 D
C = 278 138.700 MHz

Poynter & Pickett. 18003
De Lucia, F.C., Helminger, P. 1974. Microwave spectra of molecules of astrophysical interest. V. Water vapor. J. Phys. Chem. Ref. Data. 3, 211-219.
Lovas 1978.
Chandra, S., Varshalovich, D.A., Kegel, W.H. 1984. Einstein A-values for rotational transitions in the H2O-molecule. Astron. Astrophys. Suppl. 55, 51-53.

Astrophysical detections:

Planetary atmospheres:	IR (rovib.), radio(rot, Venus, Mars to be confirmed)
Comets:	IR (rovib.), radio (rot.)
Interstellar medium:	radio (rot., maser lines), IR (rovib.)
Extragalactic:	radio (rot.)

H2O	H2O	(continued)

Cheung, A.C., Rank, D, Townes, C.H., Thornton, D.D., Welch, W.J. 1969. Detection of water in interstellar regions by its microwave radiation. Nature 221, 626-628.
Andrew, B.H., Bell, M.B., Broten, N.W., Mac Leod, J.M. 1975. A search for water vapour emission from extragalactic nebulae. Astron. Astrophys. 39, 421-428. (Tentative detection.)
Churchwell, E., Witzel, A., Huchtmeier, W., Pauliny-Toth, I., Roland, J., Sieber, W. 1977. Detection of H2O maser emission in the galaxy M33. Astron. Astrophys. 54, 969-971.
Knacke, R.F., Larson, H.P. 1991. Water vapour in the Orion molecular cloud. Astrophys. J. 367, 162‑167.
Mumma, M.J., Weaver, H.A., Larson, H.P., Davis, D.S., Williams, M. 1986. Detection of water vapour in Halley's comet. Science 232, 1523-1528.

d-H2O	HDO	d-Water

	Cs

Photodissociation rate:

By quiet Sun at 1 AU: = 1.310-5 s-1 (Crovisier, J.1994. Photodestruction rates for cometary parent molecules. J. Geoph. Res. Planets 99, 3777-3781)

Vibrational bands:
_________________________________________________________________________
band		Sa)	A	g	mode
	cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	a'	2727.	50.8	11.6	6.5 10-5	OD str.
	a'	1402.	209. 	12.6	1.6 10-4	bend.
	a'	3707.	129. 	54.5	1.9 10-4	OH str.
_________________________________________________________________________

Shimanouchi I.
a) GEISA (rot., 1, 2, 3, others).
Smith et al. 1985, 1992.
Guelachvili and Rao II.

Rotational structure:

A =  701 931.5 MHz			A =  0.657 D
B =  272 912.6 MHz			B =  1.732 D
C =  192 055.2 MHz

Poynter & Pickett. 19002

See references for H2O.

Astrophysical detections:

Planetary atmospheres:	radio (rot. Mars, Venus)
Comets:	radio (rot.)
Interstellar medium:	radio (rot.)
Extragalactic:	

Turner, B.E., Zuckerman, B., Fourikis, N., Morris, M., Palmer, P. 1975. Microwave detection of interstellar HDO. Astrophys. J. 198, L125-L128.
Schulz, A., Gusten, R., Serabyn, E., Walmsley, C 1991. Detection of the ground-state transition of HDO. Astron. Astrophys. 246, L55-L58.
Encrenaz, T., Lellouch, E., Paubert, G., Gulkis, S. 1990. First radiodetection of HDO on Mars and Venus. Bull. Amer. Astron. Soc. 22, 1357.
Encrenaz, T., Lellouch, E., Paubert, G., Gulkis, S. 1991. First detection of HDO in the atmosphere of Venus at radio wavelengths: an estimate of the H2O vertical distribution. Astron. Astrophys. 246, L63-l66.
Lis, D., Keene, J., Young, K., Phillips, T., Bergin, E., Goldsmith, P., Bockelée-Morvan, D., Crovisier, J., Gautier, D., Wootten, A., Despois, D., Owen, T. 1996. Comet C/1996 B2 (Hyakutake) . IAU Circ. No 6362.

H2O+	H2O+	Water Ion

2B1	C2v

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			Sa)	A	g	mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	a1	3212.9	(445.)	140.	6.2 10-4	s-str.
	a1	1408.4	700.	37.	4.8 10-4	bend.
	b1	3259.0	(1720.)	560.	2.4 10-3	a-str.
_________________________________________________________________________

Jacox 1990.
Dinelli, B, Crofton, M.W., Oka, T. 1988. Infrared spectroscopy of the 3 band of H2O+. J. Mol. Spect. 127, 1-11.
a) Weis, B., Carter, S., Rosmus, P., Werner, H.J., Knowles, P.J. 1989. A theoretical rotationally resolved infrared spectrum for H2O+ (X2B1). J. Chem. Phys. 91, 2818-2833. (Ab initio.)
Huet, T.R., Pursell, C.J., Ho, W.C., Dinelli, B.M., Oka, T. 1992. Infrared spectroscopy and equilibrium structure of H2O+ (X2B1). J. Chem. Phys. 97, 5977-5987.
Forney, D., Jacox, M.E., Thompson, W.E. 1993. The vibrational spectra of molecular ions isolated in solid neon. X. H2O+, HDO+, and D2O+. J. Chem. Phys. 98, 841-849.
Heninger, M., Lemaire, J., Mauclaire, G., Fenistein, S., Jullien, S., Marx, R. 1994. Experimental investigation of vibrational radiative lifetimes: H2O+ and D2O+ ions in their ground electronic state (X2B1). J. Chem. Phys. 101, 1923-1929.

Rotational structure:

A = 872 100 MHz	
B = 372 600 MHz			B = (2.4) D
C = 253 800 MHz	

Lew, H., Heiber, I. 1973. Spectrum of H2O+. J. Chem. Phys. 58, 1246-1247.
Leutwyler, S., Klapstein, D., Maier, J.P. 1983. Anomalous rotational distributions in electronic emission of supersonically cooled H2O+ (A2A1-X2B1). Chem. Phys. 74, 441-445.
Liu, D.J., HO, W.-C., Oka, T. 1987. Rotational spectroscopy of molecular ions using diode lasers. J. Chem. Phys. 87, 2442-2446.

Astrophysical detections:

Planetary atmospheres:	
Comets:	visible (electronic A2A1-X2B1)
Interstellar medium:	
Extragalactic:

Benvenuti, P., Wurm, K. 1974. Unidentified bands in comet Kohoutek. Astron. Astrophys. 31, 121‑122.
Herzberg, G., Lew, L. 1974. Tentative identification of the H2O+ ion in comet Kohoutek. Astron. Astrophys. 31, 123-124.
Wehinger, P.A., Wyckoff, S., Herbig, G., Herzberg, G., Lew, H. 1974. Identification of H2O+ in the tail of comet Kohoutek (1973f). Astrophys. J. 190, L43-L47.

H2O2	H2O2	Hydrogen Peroxide

	C2

Photodissociation rate:

By quiet Sun at 1 AU:	= 1.4 10-4 s-1 (Huebner et al. 1992)
I	= 1.3 10-4 s-1 (Crovisier, J.1994. Photodestruction rates for cometary parent molecules. J. Geoph. Res. Planets 99, 3777-3781)
nterstellar medium:	 = 6.2 10-10 s-1 (van Dishoeck 1988);  = 8.3 10-10 s-1 (Roberge et al. 1991)

Vibrational bands:
_________________________________________________________________________
band		S a)	A	g	mode
	cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	a	3607.	(70.)	28. 	1.0 10-4	OH str.
	a	1393.	(3.)	0.2	2.3 10-6	OH bend.
	a	863.	(1.)	0.02	5.2 10-7	OO str.
	a	317.	(600.)	1.9	1.2 10-4	torsion
	b	3608.	(400.)	160. 	6.0 10-4	OH str.
	b	1266.	271.	13.4	2.0 10-4	OH bend.
_________________________________________________________________________

Shimanouchi II.
Jacox 1990.
GEISA (6 - intensities to be divided by 2: Perrin et al. 1995).
Smith et al. 1985, 1992.
Rogers, J.D., Hillman, J.J. 1981. Prediction of absolute infrared intensities for the fundamental vibrations of H2O2. J. Chem. Phys. 75, 1085-1090.
a) Rogers, J.D., Hillman, J.J. 1982. Ab initio calculation of infrared intensities for hydrogen peroxide. J. Chem. Phys. 76, 4046-4055.
Perrin, A., Flaud, J.-M., Camy-Peyret, C. 1990. New analysis of the (n, ) band of H2O2: the (n, ) = (0, 1), (1, 1), (2, 1), (0, 3) and (1, 3) torsional subbands. J. Molec. Spect. 142, 129-147.
Hillman, J.J., Jenning, D.E., Olson, W.B., Goldman, A. 1986. High-resolution infrared spectrum of hydrogen peroxide. The 6 fundamental band. J. Mol. Spect. 117, 46-59.
May, R.D. 1991. Absolute line strengths in the H2O2 6 band. J. Quant. Spect. Rad. Trans. 45, 267‑272. (595±107 cm-2 amagat-1)
Camy-Peyret,C., Flaud, J.-M., Johns, J.W.C., Noël, M. 1992. Torsion-vibration interaction in H2O2: first high-resolution observation of 3. J. Mol. Spect. 155, 84-104.
Perrin, A., Valentin, A., Flaud, J.M., Camy-Peyret, C., Schriver, L., Schriver, A., Arcas, Ph. 1995. The 7.9 m band of hydrogen peroxide: line positions and intensities. J. Mol. Spect. 171, 358-373.
Perrin, A., Flaud, J.-M., Camy-Peyret, C., Schermaul, R., Winnewisser, M., Mandin, J.-Y., Dana, V., Badaoui, M., Koput, J. 1996. Line intensities in the far-infrared spectrum of H2O2. J. Mol. Spect. 176, 287-296.

Rotational structure:

A = 301 878.3 MHz
B =  26 194.1 MHz
C =  25 116.9 MHz			C = 1.573 D

Poynter & Pickett. 34004
Petkie, D.T., Goyette, T.M., De Lucia, F.C., Helmiger, P., Belov, S.P., Winnewisser, G. 1998. millimeter and submillimeter-wave spectrum of hydrogen peroxide in the ground and  = 1 vibrational state. J. Mol. Spect. 192, 25-31.

Astrophysical detections: none.

H2S	H2S	Hydrogen Sulphide

1A1	C2v

Photodissociation rate:

By quiet Sun at 1 AU:	= 3.2 10-4 s-1 (Huebner et al. 1992)
	 = 2.5 10-4 s-1 (Crovisier, J., Despois, D., Bockelée-Morvan, D., Colom, P., Paubert, G.1991. Microwave observations of hydrogen sulfide and searches for other sulfur compounds in comets Austin (1989c1) and Levy (1990c). Icarus 93, 246-258.)
Interstellar medium:	 = 2.0 10-9 s-1 (van Dishoeck 1988);  = 3.5 10-9 s-1 (Roberge et al. 1991)

Vibrational bands:
_________________________________________________________________________
band		a)	S	A	g	mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	a1	2615.	0.48c)	0.10	6.0 10-7	s-str.
	a1	1183.	1.92b)	0.08	1.3 10-6	bend.
	b1	2627.	0.12c)	0.025	1.5 10-7	a-str.
_________________________________________________________________________

a) Herzberg III.
Shimanouchi I.
Smith et al. 1985, 1992.
b) GEISA (rot., 2).
c) Lechuga-Fossat, L., Flaud, J, Camy-Peyret, C., Johns, J.W.C. 1984. The spectrum of natural hydrogen sulfide between 2150 and 2950 cm-1. Can. J. Phys. 62, 1889-1923.
Camy-Peyret, C., Flaud, J.-M., N'Gom, A., Johns, J.W.C. 1988. The three fundamental bands 2,  1 and 3 of D232S and the 2 band of D234S. Molec. Phys. 65, 649.
Senekowitsch, J., Carter, S., Zilch, A. 1989. Theoretical rotational-vibrational spectrum of H2S. J. Chem. Phys. 90, 789-794.Bykov, H.D., Naumenko, O.V., Smirnov, M.A., Sinitsa, L.N. 1994. The infrared spectrum of H2S from 1 to 5 m. Can. J. Phys. 72, 1.
Ulenikov, O.N., Malikova, A.B., Koivusari, M., Alanko, S., Anttila, R. 1996. High resolution vibrational-rotational spectrum of H2S in the region of the 2 fundamental band. J. Mol. Spect. 176, 229-235.

Rotational structure:

A = 310 182.2 MHz
B = 270 884.0 MHz			B = 0.974 D
C = 141 705.9 MHz

Poynter & Pickett. 34002
Lovas 1978.
Helminger, P., Cook, R.L., DeLucia, F.C. 1972. Microwave spectrum and centrifugal distorsion effects of H2S. J. Chem. Phys. 56, 4581-4584.
Helminger, P., DeLucia, F.C., Kirchhoff. 1973. Microwave spectra of molecules of astrophysical interest. IV. Hydrogen sulfide. J. Phys. Chem. Ref. Data 2, 215.
Cook, R.L., De Lucia, F.C., Helminger, J. 1975. J. Mol. Struct. 28, 237.
Belov, S.P., Yamada, K.M.T., Winnewisser,G., Poteau, L., Bocquet, R., Demaison, J., Polyansky, O., Tretyakov, M.Yu. 1995. Teraherz rotational spectrum of H2S. J. Mol. Spect. 173, 380-390.

H2S	H2S	(continued)

Astrophysical detections:

Planetary atmospheres:	mass spect. (Venus)
Comets:	radio (rot.)
Interstellar medium:	radio (rot.)
Extragalactic:

Thaddeus, P., Kutner, M.L., Penzias, A.A., Wilson, R.W., Jeffert, K.B. 1972. Interstellar hydrogen sulfide. Astrophys. J. 176, L73-L76.
Hoffman, J.H., Hodges, R.R., Donahue, T.M., McElroy, M.B. 1988. Composition of the Venus lower atmosphere from the Pioneer Venus mass spectrometer. J. Geophys. Res. 85 A, 7882-7890. ("Strong, but presently inclonclusive, evidence".)
Bockelée-Morvan, D., Colom, P., Crovisier, J., Despois, D., Paubert, G. 1991. Microwave detection of hydrogen sulphide and methanol in comet Austin (1989c1). Nature 350, 318-320.

H2Se	H2Se	Hydrogen Selenide

1A1	C2v

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	a1	2344.4				s-str.
	a1	1034.2				bend.
	b1	2357.7				a-str.
_________________________________________________________________________

Herzberg III.
Shimanouchi I.
Gillis, J.R., Edwards, T.H. 1981. Analysis of 22, 1, and 3 of H2Se. J. Mol. Spect. 85, 74-84.
Lane, Wm.C., Edwards, T.W., Gillis, J.R., Bonomo, F.S., Murcray, F.J. 1984. Analysis of 2 of H2Se. J. Mol. Spect. 107, 306-317.

Rotational structure:

A =  245 122.1 MHz
B =  231 593.4 MHz			B =  D
C =  117 012.0 MHz

Lovas, F.J. 1978. Microwave spectral tables. II. Triatomic molecules. J. Phys. Chem. Ref. Data. 7, 1445-1750.
Kozin, I.N., Belov, S.P., Polyansky, O.L., Tretyakov, M.Yu. 1992. Submillimeter-wave spectrum of H2Se: the evidence of fourfold clustering of rotational levels. J. Mol. Spect. 152, 13-28.
Kozin, I.N., Polyansky, O.L.,Pripolzin, S.I., Vaks, V.L. 1992. Millimeter-wave transitions of H2Se. J. Mol. Spect. 156, 405-407.
Kozin, I.L., Klee, S., Jensen, P., Polyansky, O.L., Pavlichenkov, I.M. 1993. The far-infrared Fourier transform spectrum of H2Se. J. Mol. Spect. 158, 409-422.

Astrophysical detections: none.

H2Si	SiH2	Silylene

1A1	C2v

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	a1	1975.2				s-str.
	a1	997.1				bend.
	b2	(1973.)				a-str.
_________________________________________________________________________

Jacox 1990.
Yamada, C., Kanamori, H., Hirota, E., Nishiwaki, N., Itabashi, N., Kato, K., Goto, T. 1989. Detection of the silylene 2 band by infrared diode laser kinetic spectroscopy. J. Chem. Phys. 91, 4582‑4586.
Ishikawa, H., Kajimoto, O. 1991. Fermi resonance and vibrational analysis of SiH2 (X1A1) based on the LIF excitation of the A1B1 (060) <- X1A1 (0v"0) transition. J. Mol. Spect. 150, 610-619.

Rotational structure: 

A = 8.096 cm-1		A = D
B = 7.021 cm-1		B = D
C = 3.700 cm-1		C = D

Astrophysical detections: none.

H3+	H3+	Protonated Dihydrogen

	D3h

Photodissociation rate:

Interstellar medium:	 < 1. 10-12 s-1 (van Dishoeck 1988)

Vibrational bands:
_________________________________________________________________________
band			S	A	g	mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	a'1	3178.4	na			ring breath.
	e'	2521.3		(180)	1.1 10-3	def.
_________________________________________________________________________

Jacox 1990.
Miller, S., Tennyson, J. 1987. First principles calculations of the molecular constants of H3+, H2D+, D2H+ and D3+. J. Mol. Spect. 126, 183-192.
Miller, S., Tennyson, J. 1988. Calculated rotational and rovibrational transitions in the spectrum of H3+. Astrophys. J. 335, 486-490.
Miller, S., Tennyson, J. 1988. Overtone bands of H3+: first principle calculations. J. Mol. Spect. 128, 530-531.
Majewski, W.A., Feldman, P.A., Watson, J.K.W., Miller, S., Tennyson, J. 1989. Laboratory observations of the 22 band of the H3+ molecular ion. Astrophys. J. 347, L51-L54.
Kao, L., Oka, T. Miller, S., Tennyson, J. 1991. A table of astronomically important ro-vibrational transitions for the H3+ molecular ion. Astrophys. J. Suppl.77, 317-329.
Neale, L., Miller, S., Tennyson, J. 1996. Spectroscopic properties of the H3+ molecule: a new calculated line list. Astrophys. J. 464, 516-520. Available at:
	jonny.phys.ucl.ac.uk/pub/astrodata/h3+

Oka, T. 1983. The H3+ ion. In Molecular Ions: Spectroscopy, Structure and Chemistry. T.A. Miller and V.E. Bondybey edts, North-Holland Publ. p; 73-90. (A review.)
Lindsay, C.M., McCall, B.J. 2001. Comprehensive evaluation and compilation of H3+ spectroscopy.  J. Mol. Spect. 210, 60-83.

Rotational structure: oblate symmetric top, non-polar.

A = B = 1 306 680 MHz	
C = 618  150 MHz			 = 0

Majewski, W.A., Marshall, M.D., McKellar, A.R.W., Johns, J.K.G. 1987. Higher rotational lines in the 2 fundamental of the H3+ molecular ion. J. Mol. Spect. 122, 341-355.

Astrophysical detections:

Planetary atmospheres:	IR (rovib. Jupiter, Uranus)
Comets:	
Interstellar medium:	IR (rovib)
Extragalactic:

Drossart, P., Maillard, J.-P., Caldwell, J., Kim, S.J., Watson, J.K.G., Majewski, W.A., Tennyson, J., Miller, S., Atreya, S.K., Clarke, J.T., Waite, J.H. Jr., Wagener, R. 1989. Detection of H3+ on Jupiter. Nature 340, 539-541.
Geballe, T.R., Oka, T. 1996. Detection of  H3+ in interstellar space. Nature 384, 334-335.
McCall, B.J., Geballe, T.R., Hinkle, K.H., Oka, T. 1999. Observations of H3+ in dense molecular clouds. Astrophys. J. 522, 338-348.

d-H3+	H2D+	

	C2v

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			Sa)	A	g	mode
		cm-1	D	s-1	s-1
_________________________________________________________________________
	a1	2993.0	(0.119)	120	5.8 10-4	s-str.
	a1	2206.3	(0.112)	42	3.1 10-4	bend.
	b1	2335.0	(0.275)	300	2.1 10-4	a-str.
_________________________________________________________________________

Jacox 1990.
a) Foster, S.C. McKellar, A.R.W., Peterkin, I.R., Watson, J.K.G., Pan, F.S., Crofton, M.W., Altman, R.S., Oka, T. 1986. Observation and analysis of the 2 and 3 fundamental bands of the H2D+ ion. J. Chem. Phys. 84, 91-99.
Miller, S., Tennyson, J. 1987. First principles calculations of the molecular constants of H3+, H2D+, D2H+ and D3+. J. Mol. Spect. 126, 183-192.

Rotational structure: 

A = 1 302 254 MHz			  (0.6) = D
B =   873 402 MHz
C =   497 697 MHz

Poynter & Pickett. 4001
Kozin, I.N., Polyansky, O.L., Zobov, N.F. 1988. Improved analysis of the experimental data on the H2D+ and D2H+ absorption spectra. J. Mol. Spect. 128, 126-134.

Astrophysical detections:

Planetary atmospheres:	
Comets:	
Interstellar medium:	radio (rotation)
Extragalactic:

Phillips, T.G., Blake, G.A., Keene, J., Woods, R.C., Churchwell, E. 1985. Interstellar H3+: possible detection of the 110-111 transition of H2D+. Astrophys. J. 294, L45-L48.
Pagani, L., Wannier, P.G., Frerking, M.A., Kuiper, T.B.H., Gulkis, S., Zimmermann, P., Encrenaz, P.J., Whiteoak, J.B., Destombes, J.L., Pickett, H.M. 1992. Search for H2D+ at 372 GHz in dense interstellar clouds. Astron. Astrophys. 258, 472-478.
Stark, R., van der Tak, F.F.S., van Dishoeck, E.F. 1999. Detection of interstellar  H2D+emission. Astrophys. J. 52, L67-L70.

H3N	NH3	Ammonia

1A1	C3v

Photodissociation rate:

By quiet Sun at 1 AU:	= 1.8 10-4 s-1 (Huebner et al. 1992)
	 = 1.5 10-4 s-1 (Allen et al. 1987. Astron. Astrophys. 187, 502) 
	 = 1.3 10-4 s-1 (Tegler 1989, quoted by Wyckoff, S., Tegler, S.C., Engel, L. 1991. Ammonia abundance in four comets. Astrophys. J. 368, 279-286)
Interstellar medium:	 = 7.8 10-10 s-1 (van Dishoeck 1988);  = 1.3 10-9 s-1 (Roberge et al. 1991)

Vibrational bands:
_________________________________________________________________________
band			S	A	g	mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	a1	3337.	24.	8.2	3.4 10-5	s-str.
	a1	950.	568.	16. 	3.2 10-4	s-def.
	e	3444.	14.	2.6	2.0 10-5	d-str.
	e	1627.	126.	5.1	1.1 10-4	d-def.
_________________________________________________________________________

Shimanouchi I.
GEISA (rot., 1, 2, 3, others).
Smith et al. 1985, 1992.
Guelachvili and Rao I, II.
Pine, A.S., Dang-Nhu, M. 1993. Spectral intensities in the 1 band of NH3. J. Quant. Spect. Rad. Trans. 50, 565-570.
Kleiner, I., Brown, L.R., Tarrago, G., Kou, Q.-L., Picqué, N., Guelachvili, G., Dana, V., Mandin, J.-Y. 1999. positions and intensities in the 24/1/3 vibrational system of 14NH3 near 3 m. J. Mol. Spect. 193, 46-71.

Rotational structure: oblate symmetric top.

A = B = 298 117.1 MHz
C = 186 726.4 MHz			C = 1.476 D		Inversion

Poynter & Pickett. 17002
Poynter, R.L., Kakar, R.K. 1975. The microwave frequencies, line parameters, and spectral constants for 14NH3. Astrophys. Suppl. Series 29, 87-96.

Astrophysical detections:

Planetary atmospheres:	IR (rovib.), radio (inversion, Jupiter, Saturn)
Comets:	radio (inversion)
Interstellar medium:	IR (rot., rovib.), radio (rot., inversion)
Extragalactic:	radio (inversion)

Cheung, A.C., Rank, D, Townes, C.H., Thornton, D.D., Welch, W.J. 1968. Detection of NH3 molecules in the interstellar medium by their microwave emission. Phys. Rev. Letters 21, 1701‑1705.
Martin, R.N., Ho, P.T.P. 1979. Detection of extragalactic ammonia. Astron. Astrophys. 74, L7-L9.
Betz, A.L., McLaren, R.A., Spears, D.L. 1979. NH3 in IRC+10216. Astrophys. J. 229, L97-L100. (Rovib., 2 band.)
Townes, C.H., Genzel, R., Watson, D, Storey, J.W.V. 1983. Detection of interstellar NH3 in the far-infrared: warm and dense gas in Orion-KL. Astrophys. J. 269, L11-L15. (Rotation.)

H3N	NH3	(continued)

Keene, J., Blake, G.A., Phillips, T.G. 1983. First detection of the ground-state JK = 10-00 submillimeter transition of interstellar ammonia. Astrophys. J. 271, L27-L30.
Wootten, A., Butler, B., Bockelée-Morvan, D., Crovisier, J., Palmer, P., Despois, D., Yeomans, D. 1996. Comet C/1996 B2 (Hyakutake). IAU Circ. No 6362

Ho, P.T.P., Townes, C.H. 1983. Interstellar ammonia. Ann. Rev. Astron. Astrophys. 21, 239-270.

d-H3N	NH2D	d-Ammonia

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	
	
	
	
	
	
_________________________________________________________________________

Rotational structure: 

A = 290 125. MHz			A = 0.18 D
B = 192 194. MHz
C = 140 795. MHz			C = 1.463 D	

Poynter & Pickett. 18004
Cohen, E.A., Pickett, H.M. 1982. The rotation-inversion spectra and vibration-rotation interaction in NH2D. J. Mol. Spect. 93, 83-100.
Bester, M., Urban, S., Yamada, K., Winnewisser, G. 1983. The nuclear hyperfine structure of deuterated ammonia. Astron. Astrophys. 121, L13-L14.

Astrophysical detections:

Planetary atmospheres:	
Comets:	
Interstellar medium:	radio (rotation-inversion)
Extragalactic:	

Rodriguez-Kuiper,E.N., Zuckerman, B., Kuiper, T.B.H. 1978. Deuterated ammonia toward the Orion Nebula. Astrophys. J. 219, L49-L53.

H3O+	H3O+	Hydronium Ion

	C3v

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	a1 3389.7, 3491.2				OH s-srt
	a1	954.4				umbrella
	e	   3530.2, 3513.8	4000.a)	750	5.8 10-3	OH a-str.
	e  1625.9, 1638.5				def.
_________________________________________________________________________

Jacox 1990.
Botschwina, P., Rosmus, P., Reinsch, E.-A. 1983.  Spectroscopic properties of the hydroxonium ion calculated from SCEP CEPA wavefunctions. Chem. Phys. Lett. 102, 299-306. (Ab initio: prediction of a strong band [1035 cm-2 atm-1] at 559 cm-1.)
Liu, D.-J., Oka, T., Sears, T.J. 1986. The calculated 2 (inversion) spectrum of H3O+. J. Chem. Phys. 84, 1312-1316.
Gruebele, M., Polak, M., Saykally, R.J. 1987. A study of the structure and dynamics of the hydronium ion by high resolution infrared laser spectroscopy. II The 4 perpendicular bending mode of H316O+. J. Chem. Phys. 87, 3347-3351.
Stahu, A., Solka, H., Adams, H., Urban, W. 1987. The 3 band of the molecular ion H3O+. Mol. Phys. 60, 121-128.
a) Keim, E.R., Polak, M.L., Owrutsky, J.C., Coe, J.V., Saykally, R.J. 1990. Absolute infrared vibrational band intensities of molecular ions determined by direct laser absorption spectroscopy in fast ion beams. J. Chem. Phys. 93, 3111-3119.
Ho, W.C., Pursell, C.J., Oka, T. 1991. Infrared spectroscopy in an H2-O2-He discharge: H3O+. J. Mol. Spect. 149, 530-541.
Tang, J., Oka, T. 1999. Infrared spectroscopy of H3O+: the 3 fundamental band. J. Mol. Spect. 196, 120-130.

Rotational structure: oblate symmetric top.

A = B = 337 388.5 MHz
C = 181 374.0 MHz				C = (1.44) D			inversion = 55.34 cm-1

Poynter & Pickett. 19004
Bogey, M., Demuynck, C., Denis, M., Destombes, J.L. 1985. Laboratory measurement of the submillimeter wave spectrum of H3O+. Astron. Astrophys. 148, L11-L13.
Verhoeve, P., Verluis, M., Ter Meulen, J.J., Meerts, W.L., Dynamus, A. 1989. Far infrared laser sideband spectroscopy of H3O+: the pure inversion spectrum around 55 cm-1. Chem. Phys. Lett. 161, 195-201.

H3O+	H3O+	(continued)

Astrophysical detections:

Planetary atmospheres:	
Comets:	radio (rot.)
Interstellar medium:	radio (rot.), FIR (rot.)
Extragalactic:

Wootten, A., Boulanger, F., Bogey, M., Combes, F., Encrenaz, P.J., Gerin, M., Ziurys, L. 1986. A search for interstellar H3O+. Astron. Astrophys. 166, L15-L18. (Tentative detection, identification to be confirmed.)
Hollis, J, Churchwell, E.B., Herbst, E. DeLucia, F.C. 1986. An interstellar line coincident with the P(2, 1) transition of hydronium (H3O+). Nature 322, 524-526. (Tentative detection, identification to be confirmed.)
Wooten, A., Mangum, J.G., Turner, B.E., Bogey, M., Boulanger, F., Combes, F., Encrenaz, P.J., Gerin, M. 1991. Detection of interstellar H3O+; a confirming line. Astrophys. J. 380, L79-L83.
Timmerman, R., Nikola, T., Poglitsch, A., Geis, N., Stacey, G.J., Townes, C.H. 1996. Possible discovery of the 70 micron H3O+ 43--33+ transition in Orion BN-IRc2. Astrophys. J. 463, L109-L112.
Mehringer, D., Benford, D., Bockelée-Morvan, D., Lis, D.C., Phillips, T.G., Despois, D., Biver, N., Rauer, H., Colom, P., Crovisier, J., Gautier, D. 1997. Comet C/1995 O1 (Hale-Bopp). IAU Circ. No 6625.

H3P	PH3	Phosphine

1A1	C3v

Photodissociation rate:

By quiet Sun at 1 AU:	= 6.1 10-5 s-1 (Huebner et al. 1992)

Vibrational bands:
_________________________________________________________________________
band		a)	S	A	g	mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	a1	2323.	116.b)	19. 	1.3 10-4	s-str.
	a1	992.	c)	 3.1	6.1 10-5	s-def.
	e	2328.	413.b)	34. 	4.7 10-4	d-str.
	e	1118.	c)	1.6	5.2 10-5	d-def.
_________________________________________________________________________

Shimanouchi I.
a) Pugh and Rao 1976.
b) GEISA.
Smith et al. 1985, 1992.
c) Kshirsagar, R.J., Singh, K., D'Cunha, R., Job, V.A., Papousek, D., Ogilvie, J.F., Fusina, L. 1991. Intensities of lines in the bands 2 and 4 and the transiton dipole moments of PH3. J. Mol. Spect. 149, 152-159.
Tarrago, G., Lacome, N., Lévy, A., Guelachvili, G., Bézard, B., Drossard, P. 1992. Phosphine spectrum at 4-5 m: analysis and line-by-line simulation of 22, 2+4, 1, and 3 bands. J. Mol. Spec. 154, 30-42.

Rotational structure: oblate symmetric top.

A = B = 133 480.2  MHz
C = 117 488.4 MHz			C =  0.574 D

Poynter & Pickett. 34003

Astrophysical detections:

Planetary atmospheres:	IR (rovib. Jupiter, Saturn)
Comets:
Interstellar medium:	
Extragalactic:

Turner, B.E., Tsuji, T., Bally, J., Guélin, M., Cernicharo, J. 1990. Phosphorus in the dense interstellar medium. Astrophys. J. 365, 569-585. (Upper limits.)

H4N+	NH4+	Ammonium Ion

1A1	Td

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	a1		na
	e		na
	f2	3343.1	1220.a)	140.	1.7 10-3	NH str.
	f2	1447.2				def.
_________________________________________________________________________

Jacox 1990.
Schäfer, E., Saykally, R.J., Robiette, A.G. 1984. A high resolution study of the n band of the ammonium ion (NH4+) by velocity modulation laser absorption spectroscopy. J. Chem. Phys. 80, 3970-3977.
a) Keim, E.R., Polak, M.L., Owrutsky, J.C., Coe, J.V., Saykally, R.J. 1990. Absolute infrared vibrational band intensities of molecular ions determined by direct laser absorption spectroscopy in fast ion beams. J. Chem. Phys. 93, 3111-3119.
Crofton, M.W., Oka, T. 1987. Observation of forbidden transitions of ammonium ion (NH4+) 3 band and determination of ground state rotational constants. Observation of 3 band allowed transitions of ND4+. J. Chem. Phys. 86, 5983-5988.

Rotational structure: spherical top, non-polar.

A = B = C =  5.9293 cm -1		 = 0

Astrophysical detections: none.

H4N2	NH2NH2	Hydrazine

	C2

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	a	3325.				HNH s-s str.
	a	(3317.)				HNH s-a str.
	a	1493.				NN str.
	a	(1299.)				s scis.
	a	1098.				s wag.
	a	780.				HNH s twist.
	a	377.				torsion
	b	3350.				HNH a-s str.
	b	3297.				HNH a-a str.
	b	1608.				a scis.
	b	1275.				a wag.
	b	937.				HNH a twist.
_________________________________________________________________________

Hamada, Y., Hirakawa, A.Y., Tamagake, K., Tsuboi, M. 1970. Amino wagging and inversion in hydrazines. J. Mol. Spect. 35, 420-435.
Tsuboi, M., Overend, J. 1974. Amino wagging and inversion in hydrazines. J. Mol. Spect. 52, 256-268.
Lascola, R., Withnall, R., Andrews, L. 1988. Infrared spectra of hydrazine and products of tis reactions with HF, F2, and O3 in solid argon. Inorg. Chem. 27, 642-648.
Tipton, T., Stone, D.A., KuBulat, K., Person, W.B. 1989. Experimental and theoretical studies of the infrared spectra of hydrazines. J. Phys. Chem. 93, 2917-2927. (With ab inition estimates of band strengths.)
Ohashi, N., Olson, W.B. 1991. Fourier transform spectrum of the second torsional band of hydrazine. J. Mol. Spect. 145, 383-391.

Rotational structure:

A = 143 467.6 MHz			A = D
B =  24 083.0 MHz			B = D
C =  24 070.1 MHz			C = D

Tsunekawa, S., Kojima, T. 1980. Microwave spectrum of Hydrazine. J. Phys. Soc. Japan 49, 1957-1964.
Landolt-Börnstein 1982.

Astrophysical detections: none.

H4Si	SiH4	Silane

1A1	Td

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	a1	2187.	na			s-str.
	e	975.	na			d-def.
	f2	2191.	1234.	60.	1.4 10-3	d-str.
	f2	914.	1624.	14.	8.8 10-4	d-def.
_________________________________________________________________________

Shimanouchi I.
Pugh and Rao 1976.
Pierre, G., Valentin, A., Henry, L. 1986. Etude par transformée de Fourier du spectre du silane dans la région de 1000 cm-1. Analyse de la diade 2 et 4. Can. J. Phys. 64, 341-350.
Cadot, J. 1992. Measurement of the transiton dipole moment of silane 28SiH4 by diode laser spectroscopy. J. Mol. Spect. 154, 383-390. (3 = 0.139 10-18 ESU cm; 4 = 0.232 10-18 ESU cm.)

Rotational structure: Spherical top, non-polar.

A = B = C = 85 712.3 MHz			 = 3.7 10-5 D (centrifugal distorsion induced)

Oldani, M. Bauder, A. 1986. Pure rotationsl Q-branch spectrum of silane-28Si in the vibrational ground state observed by microwave Fourier transform spectroscopy. J. Mol. Spect. 117, 60-68.

Astrophysical detections:

Planetary atmospheres:	
Comets:
Interstellar medium:	circumstellar envelopes, IR (rovib.)	
Extragalactic:

Goldhaber, D, Betz, A.L. 1984. Silane in IRC+10216. Astrophys. J. 279, L55-L58.

MgO	MgO	Magnesium Monoxide

1+	C∞v

Photodissociation rate:

Infrared electronic bands:
_________________________________________________________________________
band			S	A	g	        
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
A5+-X1	3563.8
_________________________________________________________________________

Huber and Herzberg 1979. (No observation reported: indirect determination.)
Kagi, E., Hirano, T., Takano, S., Kawaguchi, K. 1994. Fourier transform infrared spectroscopy of the  A1+-X1system of MgO. J. Mol. Spect. 168, 109-125.

ibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
		774.8
_________________________________________________________________________

Huber and Herzberg 1979.

Rotational structure:

B =  17 147.5 MHz			 =  (5.8) D

Steimle, T.C., Azuma, Y., Carrick, P.G. 1984. Laboratory measurements of the millimeter-wave spectrum of magnesium monoxide. Astrophys. J. 277, L21-L22.
Törring, T., Hoeft, J. 1986. The microwave absorption spectrum of MgO. Chem. Phys. Lett. 126, 477-480.

Astrophysical detections:

Planetary atmospheres:	
Comets:	
Interstellar medium:	
Extragalactic:

Turner, B.E., Steimle, T.C. 1985. Interstellar MgO. Astrophys. J. 299, 959-966. (Radio search, possible detection.)
Millar, T.J., Elldér, J., Hjalmarson, A., Olofsson, H. 1987. Searches for interstellar and circumstellar metal oxides and chlorides. Astron. Astrophys. 182, 143-149. (Upper limits on MgO, TiO, ClO and CCl.)

MgS	MgS	Magnesium Sulphide

1+	C∞v

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
		523.3
_________________________________________________________________________

Huber and Herzberg 1979.

Rotational structure:

B =  0.26797 cm-1			 =  (5.8 ?) D

Takano, S., Yamamoto, S., Saito, S. 1989. Millimeter wave spectra of MgS and CaS. Chem. Phys. Lett. 159, 563-566.

Astrophysical detections:

Planetary atmospheres:	
Comets:	
Interstellar medium:	
Extragalactic:

Turner, B.E. 1991. Observations and chemistry of interstellar refractory elements. Astrophys. J. 376, 573-598. (Upper limit.)

NO	NO	Nitric Oxide

2r	C∞v

Photodissociation rate:

By quiet Sun at 1 AU:	= 3.5 10-6 s-1 (Huebner  et al.1992)
Interstellar medium:	 = 3.3 10-10 s-1 (van Dishoeck 1988);  = 4.3 10-10 s-1 (Roberge et al. 1991)

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
		1876.0	117.	13.	1.2 10-4
_________________________________________________________________________

Huber and Herzberg 1979.
GEISA (rot, 1-0, others).
Smith et al. 1985, 1992.
Mélen, F., Herman, M. 1992. Vibrational bands of HxNyOz molecules. J. Phys. Chem. Ref. Data 21, 831-881.

Rotational structure:

B = 50 847.8 MHz			 = 0.159 D

Poynter & Pickett. 30008
Salek, A.H., Yamada, K.M.T., Winnewisser, G. 1991. Isotopic nitric oxide spectra and breakdown of the Born-Oppenheimer approximation. Molec. Phys. 72, 1135-1148.
Lovas and Tieman 1974.

Astrophysical detections:

Planetary atmospheres:	
Comets:
Interstellar medium:	radio (rot.)
Extragalactic:

Liszt, H.S., Turner, B.E. 1978. Microwave detection of interstellar NO. Astrophys. J. 224, L73-L76.

NO+	NO+	Nitric Oxide Ion

1+	C∞v

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
		2344.0		11.	7.6 10-5
_________________________________________________________________________

Huber and Herzberg 1979
Kuo, C.-H., Beggs, C.G., Kemper, P.R., Bower, M.T., Leahy, D.J., Zare, R.N. 1989. Experimental measurements of the radiative lifetime of NO+ (X1+, v = 1, 2 and 3). Chem. Phys. Lett. 163,, 291-296.
Ho, W.C., Ozier, I., Cramb, D.T., Gerry, M.C.L. 1991. Diode laser spectroscopy of the vibrational fundamental of NO+. J. Mol. Spect. 149, 559-561.

Rotational structure: 

B =  59 597.1 MHz			 =  D

Bowman, W.C., Herbst, E., De Lucia, F.C. 1982. Millimeter and submillimeter spectrum of NO+. J. Chem. Phys. 77, 4261-4262.

Astrophysical detections: none.

NO2	NO2	Nitrogen Dioxide

2A1	C2v

Photodissociation rate:

By quiet Sun at 1 AU:	= 8.5 10-3 s-1 (Huebner et al. 1992)
Interstellar medium:	 = 1.2 10-9 s-1 (Roberge et al. 1991)

Vibrational bands:
_________________________________________________________________________
band			S	A	g	mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	a1	1319.8	1.7	0.09	1.3 10-6	s-str.
	a1	749.8	14.6	0.25	6.7 10-6	bend.
	b1	1616.8	1115. 	90.  	9.8 10-4	a-str.
_________________________________________________________________________

Herzberg III.
GEISA (1, 2, 3). (Give different intensities for n1 and n2.)
Smith et al. 1985, 1992.
Mélen, F., Herman, M. 1992. Vibrational bands of HxNyOz molecules. J. Phys. Chem. Ref. Data 21, 831-881.
Perrin, A., Flaud, J.-M., Camy-Peyret, C., Vasserot, A.-M., Guelachvili, G., Goldman, A., Murcray, F.J., Blatherwick, R.D. 1992. The 1, 22, and 3 interacting bands of 14N16O2: line positions and intensities. J. Mol. Spect. 154, 391-406.

Rotational structure: 

A = 239 904. MHz	
B =  13 002. MHz			B = 0.316 D
C =  12 305. MHz

Poynter & Pickett. 46006

Astrophysical detections: 

Planetary atmospheres:	
Comets:
Interstellar medium:	radio (rot.)
Extragalactic:

Ziurys, L.M., Apponi, A.J., Hollis, J.M., Snyder, L.E. 1994. A new molecule containing an N-O band. Astrophys. J. 436, L181-L184.

NP	PN	Phosphorus Nitride

1+	C∞v

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
		1323.3	
_________________________________________________________________________

Huber and Herzberg 1979.

Rotational structure:

B = 23 495.2 MHz			 = 2.75 D

Lovas and Tieman 1974.

Astrophysical detections:

Planetary atmospheres:	
Comets:
Interstellar medium:	radio (rot.)
Extragalactic:

Sutton, E.C., Blake, G.A., Masson, C.R., Phillips, T.G. 1985. Molecular line survey of Orion A from 215 to 247 GHz. Astrophys. J. Supl. Series 58, 341-378. (Tentative identification.)
Turner, B.E., Bally, J. 1987. Detection of interstellar PN: the first identified phosphorus compound in the interstellar medium. Astrophys. J. 321, L75-L79.
Ziuris, L 1987. Detection of interstellar PN: the first phosphorus-bearing species observed in molecular clouds. Astrophys. J. 321, L81-L85.

NS	NS	Nitrogen Sulphide

2r	C∞v

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
		1204.2
_________________________________________________________________________

Huber and Herzberg 1979.
Sinha, A., Burkholder, J.B., Hammer, P.D., Howard, C.J. 1988. High-resolution Fourier transform infrared spectroscopy of the NS radical. J. Mol. Spect. 130, 466.

Rotational structure: 

B =  23 072.1 MHz			 =  1.81 D		-doubling

Poynter & Pickett. 46010
Lovas and Tieman 1974.
Lovas, F.J., Suenram, R.D. 1982. Reaction products from a microwave discharge in N2 and H2S. The microwave spectrum of NS. J. Mol. Spect. 93, 416-422.
Anacona, J.R., Bogey, M., Davies, P.B., Demuynck, C., Destombes, J.L. 1986. Millimetre wave spectroscopy of NS (X2) up to v = 5. Mol. Phys. 59, 81-88.

Astrophysical detections:

Planetary atmospheres:	
Comets:	radio (rot)
Interstellar medium:	radio (rot)
Extragalactic:

Gottlieb, C.A., Ball, J.A., Gottlieb, E.W., Lada, C.J., Penfield, H. 1975. Detection of interstellar nitrogen sulfide. Astrophys. J. 200, L147-L149.
Kuiper, T.B.H., Zuckerman, B., Kakar, R.K., Kuiper, E.N.R. 1975. Detection of 2.6-millimeter radiation probably due to nitrogen sulfide. Astrophys. J. 200, L151-L153.
Irvine, W.M., Senay, M., Lovell, A.J., Matthews, H.E., McGonagle, D., Meier, R. 2000. Detection of nitrogen sulfide in comet Hale-Bopp. Icarus 143, 412-414.

NSi	SiN	Silicon Nitride

2+	C∞v

Photodissociation rate:

Infrared electronic bands:
_________________________________________________________________________
band			S	A	g	        
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
A2-X2+	2032.4
_________________________________________________________________________

Yamada, C., Hirota, E., Yamamoto, S., Saito, S. 1988. The vibrational assignment for the A2-X2+ band system of the SiN radical: the 0-0 bands of 29SiN and 30SiN. J. Chem. Phys. 88, 46-51.

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
		1138.4	
_________________________________________________________________________

Huber and Herzberg 1979.

Rotational structure:

B = 21 827.8 MHz			 = (2.2) D

Saito, S., Endo,  Y., Hirota, E. 1983. The microwave spectrum of the SiN (2+) radical. J. Chem. Phys. 78, 6445-6448.

Astrophysical detections:

Planetary atmospheres:	
Comets:
Interstellar medium:	radio (rot.)
Extragalactic:

Ziurys, L, Clemens, D.P., Saykally, R.J., Colvin, M., Schaeffer, H.F. 1984. A search for interstellar silicon nitride. Astrophys. J. 281, 219-224. (Upper limit, dipole moment.)
Turner, B.E. 1992. Extraterrestrial SiN. Astrophys. J. 388, L35-L38.

N2	N2	Molecular Nitrogen

1+g	D∞h

Photodissociation rate:

By quiet Sun at 1 AU:	= 1.0 10-6 s-1 (Huebner et al. 1992)
Interstellar medium:	 = 2.1 10-10 s-1 (van Dishoeck 1988)

Vibrational bands:
_________________________________________________________________________
band			S	A	g	mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
		2330.0	na 1.6 10-7	2.7 10-8	1.8 10-13	quadrupolar
_________________________________________________________________________

Huber and Herzberg 1979.
GEISA (1-0).
Smith et al. 1985, 1992.
Lofthus, A., Krupenie, P.H. 1977. The spectrum of molecular nitrogen. J. Phys. Chem. Ref. Data 6, 113-307. (A comprehensive and critical review of spectroscopic data on N2 and its ions, including the pressure- and field-induced infrared and microwave spectra.)

Rotational structure: non-polar.

B =  1.98950 cm-1				 =  0

Astrophysical detections: none.

N2+	N2+	Dinitrogen Ion

2+g	D∞h

Photodissociation rate:

Infrared electronic bands:
_________________________________________________________________________
band			S	A	g	        
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
A2u-X2+g	9016.0		
_________________________________________________________________________

Ferguson, D.W., Rao, K.N., Martin, P.A., Guelachvili, G. 1992. High resolution infrared Fourier-transform emission spectra of the 14N2+ Meinel system: A2u-X2+g. J. Mol. Spect. 153, 599‑609.
Lindgren, B., Royen, P., Zackrisson, M. 1992. A study of the (9, 4) and (11, 5) bands of the A2u-X2+g system and the (1, 5) band of the B2u-X2+g system of N2+ by velocity modulation laser spectroscopy. J. Mol. Spect. 156, 319-326.
Bernard, A., Larzillière, M., Effantin, C., Ross, A.J. 1993. The Meinel system (A2i-X2+) of 14N2+, 14N15N+, and 15N2+. Astrophys. J. 413, 829-833

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
		2174.8	na
_________________________________________________________________________

Huber and Herzberg 1979
Lofthus, A., Krupenie, P.H. 1977. The spectrum of molecular nitrogen. J. Phys. Chem. Ref. Data 6, 113-307. (A comprehensive and critical review of spectroscopic data on N2 and its ions, including the pressure- and field-induced infrared and microwave spectra.)

Rotational structure: non polar.

B =  1.845478 cm-1			 =  0

Astrophysical detections:

Planetary atmospheres:	
Comets:	visible (electronic B2+u-X2+g)
Interstellar medium:	
Extragalactic:

Fowler, A. 1910. Investigations relating to the spectra of comets. Month. Notices Roy. Astron. Soc. 70, 484-496.

N2O	N2O	Nitrous Oxide

1+	C∞v

Photodissociation rate:

By quiet Sun at 1 AU:	= 5.9 10-6 s-1 (Huebner et al. 1992)

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	+	2224.	1308.	200.  	1.5 10-3	NN str.
		589.	31.	0.33	1.1 10-5	bend.
	+	1285.	245.	12.  	1.8 10-4	NO str.
_________________________________________________________________________

Shimanouchi I.
GEISA (1, 2, 3, others; 1 and 3 are inverted).
Smith et al. 1985, 1992.
Guelachvili and Rao I, II.
Mélen, F., Herman, M. 1992. Vibrational bands of HxNyOz molecules. J. Phys. Chem. Ref. Data 21, 831-881.
Lyulin, O.M., Perevalov, V.I., Teffo, J.-L. 1995. Effective dipole moment and band inensities of nitrous oxide. J. Mol. Spect. 174, 566-580.
Johns, J.W.C., Lu, Z., Weber, M., Sirota, J.M., Reuter, D.C. 1996. Absolute intensities in the 2 fundamental of N2O at 17 m. J. Mol. Spect. 177, 203-210.

Rotational structure: linear.

B = 12 561.6 MHz			 = 0.1608 D

Poynter & Pickett. 44004

Astrophysical detections: none.

NaO	NaO	Sodium Monoxide

2i	C∞v

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
		(526.)
_________________________________________________________________________

Huber and Herzberg 1979

Rotational structure: 

B =  12 662.7 MHz			 =  8.7 D

Yamada, C., Fujitake, M., Hirota, E. 1989. Detection of the NaO radical by microwave spectroscopy. J. Chem. Phys. 90, 3033-3037.

Astrophysical detections:

Planetary atmospheres:	
Comets:
Interstellar medium:	
Extragalactic:

Turner, B.E. 1991. Observations and chemistry of interstellar refractory elements. Astrophys. J. 376, 573-598. (Upper limit.)

OP	PO	Phosphorus Monoxide

2r	C∞v

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
		1220.2	
_________________________________________________________________________

Huber and Herzberg 1979.
Butler, J.E., Kawaguchi, K., Hirota, E. 1983. Infrared diode laser spectroscopy of the PO radical. J. Mol. Spect. 101, 161-166.

Rotational structure:

B = 21 899.5 MHz			 =  1.88 D

Poynter & Pickett. 47006
Kawaguchi, K., Saito, S., Hirota, E. 1983. Far-infrared laser magnetic resonance detection and microwave spectroscopy of the PO radical. J. Chem. Phys. 79, 629-634.
Kanata, H., Yamamoto, S., Saito, S. 1988. The dipole moment of the PO radical determined by microwave spectroscopy. J. Mol. Spect. 131, 89-95.
Hi-Bo Qian 1995. Molecular constants of PO (X2) from microwave and infrared laser spectrosocpy. J. Mol. Spect. 174, 599-602.

Astrophysical detections:

Planetary atmospheres:	
Comets:
Interstellar medium:	
Extragalactic:

Turner, B.E. 1991. Observations and chemistry of interstellar refractory elements. Astrophys. J. 376, 573-598. (Upper limit.)

OS	SO	Sulphur Monoxide

3-	C∞v

Photodissociation rate:

By quiet Sun at 1 AU:	= 6.2 10-4 s-1 (Huebner et al. 1992)
	 = 1.5 10-4 s-1 (Kim, S.J., A'Hearn, M.F. 1991. Upper limits of SO and SO2 in comets. Icarus 90, 79-95)
Interstellar medium:	 = 2.4 10-9 s-1 (van Dishoeck 1988)

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
		1138.0	
_________________________________________________________________________

Huber and Herzberg 1979.
Burkholder, J.B., Lovejoy, E.R., Hammer, P.D., Howard, C.J. 1987. High-resolution infrared spectroscopy of SO in the X3- and a1 electronic states. J. Mol. Spect. 124, 379-392.

Rotational structure: 

B = 21 523.0 MHz			 = 1.52 D

Poynter & Pickett. 48001
Cologne 48501
Lovas and Tieman 1974.
Tiemann, E. 1974. Microwave spectra of molecules of astrophysical interest. VIII. Sulfur Monoxide. J. Phys. Chem. Ref. Data. 3, 259-268.
Lovas, F.J., Suenram, P.D., Ogata, T., Yamamoto, S. 1992. Microwave spectra and electric dipole moments for low-J levels of interstellar radicals: SO, C2S, C3S, c-HC3, CH2CC, and c-C3H2. Astrophys. J. 399, 325-329. 

Astrophysical detections:

Planetary atmospheres:	
Comets:	radio (rot.)
Interstellar medium:	radio (rot.)
Extragalactic:

Gottlieb, C.A., Ball, J.A. 1973. Interstellar sulfur monoxide. Astrophys. J. 184, L59-L64.
Lis, D.C., Gardner, M., Phillips, T.G., Bockelée-Morvan, D., Biver, N., Crovisier, J., Rauer, H., Colom, P., Gautier, D., Despois, D. 1997. Comet C/1995 O1 (Hale-Bopp). IAU Circ. No 6573

OS+	SO+	Sulphur Monoxide Ion

2r	C∞v

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
		1360.	
_________________________________________________________________________

Huber and Herzberg 1979.

Rotational structure:

B = 23 249.1 MHz	 = (2.3) D (Peterson, K.A., Woods, R.C. 1992; quoted by Turner 1992) (Poynter & Pickett use 1 D)

Poynter & Pickett. 48010
Amano, T., Amano, T., Warner, H.E. 1991. The microwave spectrum of SO+. J. Mol. Spect. 146, 519‑523.

Astrophysical detections:

Planetary atmospheres:	
Comets:
Interstellar medium:	radio (rot.)
Extragalactic:

Turner, B.E. 1992. Detection of interstellar SO+: a diagnostic of dissociative shock chemistry. Astrophys. J. 396, L107-L110.

OSi	SiO	Silicon Monoxide

1+	C∞v

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
		1229.6
_________________________________________________________________________

Huber and Herzberg 1979.
Lovas, F.J., Maki, A.G., Olson, W.B. 1981. The infrared spectrum of SiO near 1240 cm-1  and its relation to the circumstellar SiO maser. J. Mol. Spect. 87, 449-458.
Glenar, D.A., Hill, A.R., Jennings, D.E., Brault, J.W. 1985. Vibration-rotation parameters for high-temperature silicon monoxide from sunspot spectra. J. Mol. Spect. 111, 403-414.
Campbell, J.M., Klapstein, D., Dulick, M., Bernath, P.F. 1995. Infrared absorption and emission spectra of SiO. Astrophys. J. Suppl. 101, 237-254.

Rotational structure:

B = 21 712.0 MHz			 = 3.098 D

Poynter & Pickett. 44002
Cologne 44505
Lovas and Tieman 1974.
Lovas, F.J., Krupenie, P. 1974. Microwave spectra of molecules of astrophysical interest. VII. Carbon monoxide, carbon monosulfide and silicon monoxide. J. Phys. Chem. Ref. Data 3, 245-257.

Astrophysical detections:

Planetary atmospheres:	
Comets:
Interstellar medium:	IR (rovib.), radio (rot.)
Extragalactic:	radio (rot.)

Wilson, R.W., Penzias, A.A., Jefferts, K.B., Kutner, M., Thaddeus, P. 1971. Discovery of interstellar silicon monoxide. Astrophys. J. 167, L97-L100.

OSi+	SiO+	Silicon Monoxide Ion

2+	C∞v

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________

_________________________________________________________________________

Rotational structure:

B = 0.717 618 cm-1			 =  D

Zhang, L., Cameron, R., Holt, R.A., Scholl, T.J., Rosner, S.D. 1993. New observations of the optical spectrum of SiO+ and the prediction of its rotational spectrum. Astrophys. J. 418, 307-309.

Astrophysical detections: none

OTi	TiO	Titanium Monoxide

3i	C∞v

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
		1000.0	
_________________________________________________________________________

Huber and Herzberg 1979.

Rotational structure:

B = 16 003.6 MHz			 = 2.96 D

Cologne 64504
Hocking, W.H., Merer, A.J., Gerry, M.C.L. 1979. Rotational analysis of four bands of the ' (B3-X3) system of TiO. Can. J. Phys. 57, 54-68.
Stemle, T.C., Shirley, J.E. 1989. The Stark effect in the B3-X3 band system of TiO. J. Chem. Phys. 91, 8000-8002. (Dipolar moment measurement of TiO.)
Stemle, T.C., Shirley, J.E., Jung, K.Y., Russon, L.R., Scurlock, C.T. 1990. A microwave-optical double resonance spectroscopic study of TiO and TiN. J. Mol. Spect. 144, 27-31.

Astrophysical detections:

Planetary atmospheres:	
Comets:
Interstellar medium:	
Extragalactic:

Churchwell, E., Hocking, W.H., Merer, A.J., Gerry, M.C.L. 1980. Interstellar titanium monoxide: limits and implications. Astron. J. 85, 1382-1385. (Upper limits.)
Millar, T.J., Elldér, J., Hjalmarson, A., Olofsson, H. 1987. Searches for interstellar and circumstellar metal oxides and chlorides. Astron. Astrophys. 182, 143-149. (Upper limits on MgO, TiO, ClO and CCl.)

O2	O2	Molecular Oxygen

3-g	D∞h

Photodissociation rate:

By quiet Sun at 1 AU:	= 4.8 10-6 s-1 (Huebner et al. 1992)
Interstellar medium:	 = 5.3 10-10 s-1 (van Dishoeck 1988);  = 7.5 10-10 s-1 (Roberge et al. 1991)

Vibrational bands:
_________________________________________________________________________
band			S	A	g	mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
		1556.2	na 1.52 10-7	1.1 10-8	1.3 10-13	magnetic
_________________________________________________________________________

Huber and Herzberg 1979.
GEISA (rot. and v(1-0) magnetic-dipole transitions).
Smith et al. 1985.
Goldman, A., Rinsland, C.P.,  Canova, B., Zander, R., Dang-Nhu, M. 1995. Improved spectral parmeters for the O2 infrared forbidden lines in the X3-g (0-1) band. J. Quant. Spect. Rad. Transfer 54, 757-765.

Rotational structure: linear, non-polar.

B =  43 099.8 MHz			 =  0

Poynter & Pickett. 32001 (magnetic-dipole)

16O18O isotopic species:

B =  40 708. MHz			 =  (8 10-6) D

(Magnetic-dipole transitions are much stronger than electric-dipole transitions.)

Poynter & Pickett. 34001
Black, J.H., Smith, P.L. 1984. Interstellar 02. I. Abundance, excitation, and prospects for detection of 16O18O at radio frequencies. Astrophys. J. 277, 562-568.

Astrophysical detections: 

Planetary atmospheres:
Comets:
Interstellar medium:	
Extragalactic:

Pagani, L., Langer, W.D., Castets, A. 1993. First tentative detection of the molecular oxygen isotopomer 16O18O in interstellar clouds. Astron. Astrophys. 274, L13-L16. (unconfirmed)

O2S	SO2	Sulphur Dioxide

1A1	C2v

Photodissociation rate:

By quiet Sun at 1 AU:	= 2.1 10-4 s-1 (Huebner et al. 1992)
	 = 2.1  10-4 s-1 (Kim, S.J., A'Hearn, M.F. 1991. Upper limits of SO and SO2 in comets. Icarus 90, 79-95)
Interstellar medium:	 = 1.2  10-9 s-1 (van Dishoeck 1988);  = 1.9 10-9 s-1 (Roberge et al. 1991)

Vibrational bands:
_________________________________________________________________________
band		a)	S	A	g	mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	a1	1151.3	92.	3.7	6.1 10-5	s-str.
	a1	517.6	113.	0.9	3.7 10-5	bend.
	b1	1361.7	858.	49. 	6.6 10-4	a-str.
_________________________________________________________________________

Shimanouchi I.
a) Herzberg III.
GEISA (rot., 1, 2, 3, others).
Smith et al. 1985, 1992.

Rotational structure:

A = 60 778.6 MHz
B = 10 318.1 MHz			B = 1.633 D
C =  8 799.7 MHz

Poynter & Pickett. 64002
Cologne 64502
Lovas, F.J. 1985. Microwave spectra of molecules of astrophysical interest. XXII. Sulfur Dioxide (SO2). J. Phys. Chem. Ref. Data. 14, 395-488.
Alekseev, E.A., Dyubko, S.F., Ilyushin, V.V., Podnos, S.V. 1996. The high-precision millimeter-wave spectrum of 32SO2, 32SO2 (2), and 34SO2.  J. Mol. Spect. 176, 316-320.
Belov, S.P., Tretyakov, M.Y., Kozin, I.N., Klish, E., Winnewisser, G. Lafferty, W.J., Flaud, J.-M. 1998. High frequency transitions in the rotational spectrum of SO2. J. Mol. Spect.  91, 17-27.

Astrophysical detections:

Planetary atmospheres:	radio (rot. Io), IR (vib., Io)
Comets:	radio (rot.)
Interstellar medium:	radio (rot., IR)
Extragalactic:

Snyder, L.E., Holis, J, Ulich, B.L., Lovas, F.J., Johnson, D.R., Buhl, D. 1975. Radio detection of interstellar sulfur dioxide. Astrophys. J. 198, L81-L84.
Lellouch, E., Belton, M., de Pater, I., Gulkis, S., Encrenaz, T. 1990. Io's atmosphere from microwave detection of SO2. Nature 346, 639-641.
Wink, J.E., Bockelée-Morvan, D., Biver, N., Colom, P., Crovisier, J., Gérard, E., Rauer, H., Despois, D., Moreno, R., Paubert, G., Davies, J.K., Dent, W.R.F. 1997. Comet C/1995 O1 (Hale-Bopp). IAU Circ. No 6591.
Keane, J.V., Bonman, A.M.S., Tielens, A.G.G.M., van Dishoeck, E.F. 2001. Gas-phase SO2 in absorption towards massive prostars. Astron. Astrophys. 376, L5-L8.

O3	O3	Ozone

1A1	C2v

Photodissociation rate:

By quiet Sun at 1 AU:	= 1.0 10-2 s-1 (Huebner et al. 1992)
Interstellar medium:	 = 1.2 10-9 s-1 (van Dishoeck 1988)

Vibrational bands:
_________________________________________________________________________
band			Sa)	A	g	mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	a1	1103.	14.5	0.54	9.3 10-6	s-str.	
	a1	701.	15.6	0.12	7.0 10-6	bend.	
	b1	1042.	380. 	13.  	2.3 10-4	a-str.	
_________________________________________________________________________

Shimanouchi II.
GEISA (1, 2, 3, others).
Smith et al. 1985, 1992.

Rotational structure:

A =  106 536.2 MHz
B =   13 349.3 MHz			B =  0.5324 D
C =  11 834.54MHz

Poynter & Pickett. 48004
Lovas, F.J. 1978. Microwave spectral tables. II. Triatomic molecules. J. Phys. Chem. Ref. Data. 7, 1445-1750.
Bellini, M., De Natale, P., Di Lonardo, G., Fusina, L., Inguscio, M., Prevedelli, M. 1992. Tunable far infrared spectroscopy of 16O3 ozone. J. Mol. Spect. 152, 256-259.

Astrophysical detections:

Planetary atmospheres:	UV, IR (Mars)
Comets:
Interstellar medium:	
Extragalactic:

Barth, C.A., Hord, C.A. 1971. Mariner ultraviolet spectrometer: topography and polar cap. Science 173, 197-201.
Espenak, F., Mumma, M.J., Kostiuk, T. 1991. Ground-based infrared measurements of the global distribution of ozone in the atmosphere of Mars. Icarus 92, 252-262.

PS	PS	Phosphorus Sulphide

2r	C∞v

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
		733.6	
_________________________________________________________________________

Huber and Herzberg 1979.
Kawaguchi, K., Hirota, E., Ohishi, M., Suzuki, H., Takano, S., Yamamoto, S., Saito, S. 1988. Infrared diode laser spectroscopy of the PS radical. J. Mol. Spect. 130, 81-85.

Rotational structure:

B = 8 895.8 MHz			 =  (2.0 ?) D

Ohishi, M., Yamamoto, S., Saito, S., Kawaguchi, K., Suzuki, H., Kaifu, N., Ishikawa, I., Takano, S., Tsuji, T., Unno, W. 1988. The laboratory spectrum of the PS radical and related astronomical search. Astrophys. J. 329, 511-516.

Astrophysical detections: none.

SSi	SiS	Silicon Sulphide

1+	C∞v

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
		744.5	(0.13 D)	2.2	5.8 10-5
_________________________________________________________________________

Huber and Herzberg 1979.
Frum, C.I., Engleman, R., Bernath, P.F. 1990. Fourier transform emission spectroscopy at 13 m: vibration-rotation spectrum of SiS. J. Chem. Phys. 93, 5457-5461.

Rotational structure: 

B = 9 077.4 MHz			 = 1.730 D

Poynter & Pickett. 60002
Lovas and Tieman 1974.
Tiemann, E. 1976. Microwave spectra of molecules of astrophysical interest. XI. Silicon sulfide. J. Phys. Chem. Ref. Data. 5, 1147.
Pineiro, A.L., Tipping, R.H., Chackerian, C. 1987. Semiempirical estimate of vibration-rotation intensities of SiS. J. Mol. Spect. 125, 184-187.

Astrophysical detections:

Planetary atmospheres:	
Comets:
Interstellar medium:	radio (rot.), IR (rovib.)
Extragalactic:

Morris, M., Gilmore, W., Palmer, P., Turner, B.E., Zuckerman, B. 1975. Detection of interstellar SiS and a study of the IRC+10216 molecular envelope. Astrophys. J. 199, L47-L51.
Boyle, R.J., Keady, J.J., Jennings, D.E., Hirsch, K.L., Wiedemann,G.R. 1994. Observations of 13.5 micron rotqtion-vibration lines of SiS in IRC+10216. Astrophys. J. 420, 863-868.

S2	S2	Diatomic Sulphur

3-g	D∞h

Photodissociation rate:

By quiet Sun at 1 AU:	= 2.2 10-3 s-1 (A'Hearn, M.F., Feldman, P.D., Schleicher, D.G. 1983. The discovery of S2 in comet IRAS-Araki-Alcock 1983d. Astrophys. J. 274, L99-L103.)

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
1-0		720.0	na
_________________________________________________________________________

Huber and Herzberg 1979.

Rotational structure: 

B = 8 831.2 MHz			 = 0 		(magnetic dipole transitions)

Poynter & Pickett. 64001

Astrophysical detections:

Planetary atmospheres:	
Comets:	UV (electronic)
Interstellar medium:	
Extragalactic:

A'Hearn, M.F., Feldman, P.D., Schleicher, D.G. 1983. The discovery of S2 in comet IRAS-Araki-Alcock 1983d. Astrophys. J. 274, L99-L103.

CAlN	AlNC	Aluminium Isocyanide	

1	C∞v

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
						CN str.
						bend.
						AlN str.
_________________________________________________________________________

Rotational structure: linear.

B = 5 984.7 MHz				 = (3.14) D 

Cologne 53501
Astrophysical detections: 

Planetary atmospheres:	
Comets:	
Interstellar medium:	radio (rot.)
Extragalactic:

Ziurys, L.M., Savage, C., Highberger, J.L., Apponi, A.J., Guélin, M., Cernicharo, J. 2002. More metal-cyanide species : detection of AlNC (X2+) toward IRC+10216. Astrophys. J. 564, L45-L48.

CCl	CCl	Carbon Monochloride	

21/2	C∞v

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
1-0		866.1	
_________________________________________________________________________

Burkholder, J.B., Sinha, A., Hammer, P.D., Howard, C.J. 1988. High resolution Fourier transform infrared spectroscopy of the CCl radical (X23/2,1/2). J. Mol. Spect. 127, 61-69.

Rotational structure: 

B = MHz				 = D

Astrophysical detections: none.

CMgN	MgNC	Magnesium Isocyanide	

2	C∞v

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
		(2188.)				CN str.
		(83.)				bend.
		(534.)				MgN str.
_________________________________________________________________________

Rotational structure: linear.

B = 5 966.9 MHz				 = (5.2) D (Poynter & Pickett assume 1 D)

Poynter & Pickett. 50010
Cologne 50504
Ishii, K., Hirano, T., Nagashima, U., Weis, B., Yamashita, K. 1993. An ab initio prediction of the spectroscopic constants of MgNC: the first Mg-bearing molecule in space. Astrophys. J. 410, L43-L44.
Kawaguchi, K., Kagi, E., Hirano, T., Takano, S., Saito, S. 1993. Laboratory spectroscopy of MgNC: the fisrt radioastronomical identification of Mg-bearing molecule. Astrophys. J. 406, L39-L42.

Astrophysical detections: 

Planetary atmospheres:	
Comets:	
Interstellar medium:	radio (rot.)
Extragalactic:

Guélin, M., Cernicharo, J., Kahane, C., Gomez-Gonzalez, J. 1986. A new free radical in IRC+10216. Astron. Astrophys. 157, L17-L20. (Identified by Kawaguchi et al 1993.)

CMgN	MgCN	Magnesium Cyanide	

2	C∞v

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
		
		
		
_________________________________________________________________________

Rotational structure: linear.

B = 5 094.8 MHz				 = (5.5) D (Poynter & Pickett assume 1 D)

Poynter & Pickett. 50009
Anderson, M.A., Steimle, T.C., Ziurys, L.M. 1994. The millimeter and submillimeter rotational spectrum of the MgCN radical (X2). Astrophys. J. 429, L41-L44.

Astrophysical detections: 

Planetary atmospheres:	
Comets:	
Interstellar medium:	radio (rot.)
Extragalactic:

Ziurys, L.M., Apponi, A.J., Guélin, M., Cernicharo, J. 1995. Detection of MgCN in IRC+10216: a new metal-bearing free radical. Astrophys. J. 445, L47-L50.

CN	CN	Cyanogen Radical
		Carbon Mononitride

2+	C∞v

Photodissociation rate:

By quiet Sun at 1 AU:  = 3.210-6 s-1 (Singh P.D., de Almeda A.A., Huebner W.F. 1991. The states of carbon and nitrogen atoms after photodissociationof CN, CH, CH+, C2, C3 and CO in comets. Icarus 90, 74-78; Huebner et al. 1992)
Interstellar medium:	 = 2.5 10-10 s-1 (van Dishoeck 1988);  = 1.1 10-9 s-1 (Roberge et al. 1991)

Lavendy, H., Gandara, G, Robbe, J 1984. Oscillator strengths, radiation life-time and photodissociation cross-section for CN. J. Mol. Spect. 106, 395-410.

Infrared electronic bands:
_________________________________________________________________________
band			S	A	g	        
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
A2i-X2+	9117.		1.2 105	7.4 10-2	red system
_________________________________________________________________________

Jorgensen U.G., Larsson M. 1990. Molecular opacities of astrophysical interest: the A2-X2+ system of CN. Astron. Astrophys. 238, 424-434.
Lu, R., Huang, Y., Halpern, J.B. 1992. Radiative lifetimes of the CN (A2i) electronic state. Astrophys. J. 394, 710-714.
Prased, C.V.V., Bernath, P.F. 1992. Fourier transform jet-emission spectroscopy of theA2i-X2+ transition of CN. J. Mol. Spect. 156, 327-340.

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
		2042.4a)		(2.3)b)	2 10-5
_________________________________________________________________________

a) Huber and Herzberg 1979.
b) Zucconi, J, Festou, M.C. 1985. The fluorescence spectrum of the CN radical in comets. Astron. Astrophys. 150, 180-191. (Indirect, from cometary fluorescence observations and modelling.)
Davies, P.B., Hamilton, P.A. 1982. The infrared laser spectrum of the CN radical in its ground state. J. Chem. Phys. 76, 2127-2128.

Rotational structure:

B = 56 693.5 MHz			 = 1.45 D 

Poynter & Pickett. 26001
Thomas, R., Dalby, R.W. 1968. Experimental determination of the dipole moments of the X(2+) and B(2+) states of the CN radical. Can. J. Phys.  46, 2815-2819.
Turner, B.E., Gammon, R.H. 1975. Interstellar CN at radio wavelengths.  Astrophys. J. 198, 71-89.
Dixon, T.A., Woods, R.C. 1977. The microwave spectrum of the cyanide radical in its X2+ ground state. J. Chem. Phys. 67, 3956-3964.
Wooten, A., Lichten, S, Sahai, R., Wannier, P.G. 1982. CN abundance variations in the shell of IRC+10216. Astrophys. J. 257, 151-160.

CN	CN	(continued)

Skatrud , D.D., De Lucia, F.C., Blake, G.A., Sastry, K.V.L.N. 1983. The millimeter wave spectrum of CN in its first four vibrational states. J. Mol. Spect. 99, 35-46.
Klisch,S., Klaus, T., Belov, S.P., Winnewisser, G., Herbst, E. 1995. Laboratory rotational spectrum of CN in the 1 THz region. Astron. Astrophys. 304, L5-L8.

Astrophysical detections:

Planetary atmospheres:	
Comets:	visible (electronic: B2+-X2+ violet system)
		IR (electronic: A2i-X2+ red system), radio (rot)
Interstellar medium:	visible (electronic, diffuse clouds), IR (rovib.), radio (rot.)
Extragalactic:	radio (rot.)

Huggins, W. 1882. Preliminary notes on the photographic spectrum of comet 1881b. Proc. Roy. Soc. 33, 1.
Jefferts, K.B., Penzias, A.A., Wilson, R.W. 1970. Observation of the CN radical in the Orion nebula and W51. Astrophys. J. 161, L87-L89.
Henkel, C., Mauersberger, R., Schilke, P. 1988. Molecules in external galaxies: the detection of CN, C2H, and HNC, and the tentative detection of HC3N. Astron. Astrophys. 201, L23-L26.
Wiedemann, G.R., Hinkle, K.H., Keady, J.J., Deming, D., Jennings, D.E. 1991. CN and HCN in the infrared spectrum of IRC+10216. Astrophys. J. 382, 321-326.
Lis, D.C., Gardner, M., Phillips, T.G., Bockelée-Morvan, D., Biver, N., Crovisier, J., Rauer, H., Colom, P., Gautier, D., Despois, D. 1997. Comet C/1995 O1 (Hale-Bopp). IAU Circ. No 6573

CN+	CN+	Cyanogen Ion

1	C∞v

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
		2000.8
_________________________________________________________________________

Huber and Herzberg 1979.

Rotational structure:

B = 1.8964 cm-1			 = D

Astrophysical detections:

Planetary atmospheres:	
Comets:	UV (electronic f1-a1), visible (electronic c1-a1) tentative identification
Interstellar medium:	
Extragalactic:

Smith, A, Stecher, T.P., Casswell, L. 1980. Production of carbon, sulfur and CS in comet West. Astrophys. J. 242, 402-410. (tentative identification)

CNNa	NaCN	Sodium Cyanide	

	Cs

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	a'	(382.)				str.
	a'	(170.)				bend.
	a'	(2044.)				str.
_________________________________________________________________________

Leroi, G.E., Klemperer, N.1961. Infrared spectra of sodium and potassium cyanide. J. Chem. Phys. 35, 774-775.
Ismail, Z., Hauge, R.H., Margrave, J.L. 1973. Infrared spectra of matrix-isolated sodium and potassium cyanides. J. Mol. Spect. 45, 304-315. (In disagreement with previous ref.)

Rotational structure: 

A = 57 921.0 MHz			A = (3.6) D
B =  8 368.5 MHz			B = D
C =  7 272.4 MHz	

van Vaals, J.J., Merts, W.L., Dynamus, A. 1984. High-resolution molecular-beam spectroscopy of NaCN and Na13CN. Chem. Phys. 86, 147-159.

Astrophysical detections:

Planetary atmospheres:	
Comets:	
Interstellar medium:	radio (rot.)
Extragalactic:

Turner, B.A., Steimle, T.C., Meerts, L. 1994. Detection of sodium cyanide (NaCN) in IRC 10216. Astrophys. J. 426, L97-L100.

CNO	NCO	NCO Radical

2	C∞v

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
		1273.0				str.
		535.4				bend.
		1921.3				str.
_________________________________________________________________________

Jacox  1990.

Rotational structure: linear.

B = 11677.3 MHz			 = D

Landolt-Börnstein 1982.
Kawaguchi, K., Saito, S., Hirota, E. 1985. Microwave spectroscopy of the NCO radical in the 2 = 0 2, 2 = 1 2, and 2 = 2 2 vibronic states. Mol. Phys. 55, 341-350.
Davies, P.B., Davis, I 1988. Far infrared LMR of X2 NCO. Molec. Phys. 69, 175-191.

Astrophysical detections: none.

CNSi	SiCN	Cyanosilylidyne

2	C∞v

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
						str.
						bend.
						str.
_________________________________________________________________________

Rotational structure: linear.

B = 5543.4 MHz			 = (2.9) D

Cologne 54501
Apponi, A.J., McCarthy, M.C., Gottlieb, C.A., Thaddeus, P. 2000. The radio spectra of SiCCH, SiCN, and SiNC. Astrophys. J. 536, L55-L58.

Astrophysical detections:

Planetary atmospheres:	
Comets:	
Interstellar medium:	radio (rot., IRC+10216)
Extragalactic:

Guélin, M., Muller, S., Cernicharo, J., Apponi, A.J., McCarthy, M.C., Gottlieb, C.A., Thaddeus, P. 2000. Astronomical detection of the free radical SiCN. Astron. Astrophys., 363, L9-L12.

CNSi	SiNC	Isocyanosilylidyne

2	C∞v

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
						str.
						bend.
						str.
_________________________________________________________________________

Rotational structure: linear.

B = 6396.7 MHz			 = (2.0) D

Cologne 54502
Apponi, A.J., McCarthy, M.C., Gottlieb, C.A., Thaddeus, P. 2000. The radio spectra of SiCCH, SiCN, and SiNC. Astrophys. J. 536, L55-L58.

Astrophysical detections: none.

CN2	NCN	

3-g	D∞h

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	g	1197.	na			s-str.
	u	370.				bend.
	+u	1466.				a-str
_________________________________________________________________________

Jacox 1988.
Hensel, K.D., Brown, J.M.. 1996. The 3 band of the NCN radical, studied by LMR. J. Mol. Spect. 180, 170-174.

Rotational structure: linear, non-polar.

B = 0.3973 cm-1				 = 0

Herzberg, G., Travis, D.N. 1964. The spectrum and structure of the free NCN radical. Can. J. Phys. 42, 1658-1675.

Astrophysical detections:

Planetary atmospheres:	
Comets:	visible (electronic, tentative)
Interstellar medium:	
Extragalactic:

O'Dell, C.R., Miller, C.O., Cochran, A.L., Cochran, W.D., Opal, C.B., Barker, E.S. 1991. New ultraviolet spectroscopic features found in comet Brorsen-Metcalf (1989o). Astrophys. J. 368, 616-621. (Tentative assignation.)

CO	CO	Carbon Monoxide

1+	C∞v

Photodissociation rate:

By quiet Sun at 1 AU:	= 7.5 10-7 s-1 (Huebner et al. 1992)
	= 1.2 10-6 s-1 (Fox, J.L., Black, J.H. 1989. Photodissociation of CO in the thermosphere of Venus. Geophys. Res. Let. 16, 291-294)
Interstellar medium:	 = 1.8 10-10 s-1 (van Dishoeck 1988)

Vibrational bands:
_________________________________________________________________________
band			S	A	g	mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
		2143.2	243.3	34.4	2.6 10-4
_________________________________________________________________________

GEISA (rot, 1-0, others).
Smith et al. 1985, 1992.
Guelachvili and Rao I, II.
Kirby-Docken, K., Liu, B. 1978. Absorption oscillator strengths for vibration-rotation transitions of ground-state CO. Astrophys. J. Suppl. Series 36, 359-387.
Le Floch, A. 1991. Revised molecular constants for the ground state of CO. Mol. Phys. 72, 133-144.
Le Floch, A. 1991. Calculated frequencies for the CO ground state transitions. Astron. Astrophys. Supl. Series 90, 513-540.
Varberg, T.D., Evenson, K.N. 1992. Accurate far-infrared rotational frequencies of carbon monoxide. Astrophys. J. 385, 763-765.
Goorvitch, D., Chackerian, C. 1994. Calculation of 12C16O and 13C16O X1+ rovibrational intensities for v < 20 and J < 150. Astrophys. J. Suppl. Series 91, 483-489.
Gudipati, M.S., Kalb, M. 1998. New near infrared emission bands of CO: a highly sensitive spectroscopic property of CO to probe the interstellar matter. Astron. Astrophys. 329, 375-379. (Near IR electronic bands.)

For a complete description of CO spectroscopy: Krupenie, P.H. 1966. The band spectrum of carbon monoxide. NSRD-NBS 5.

Rotational structure:

B = 57 636.0 MHz			 = 0.1098 D

Poynter & Pickett. 28001
Cologne 28503
Lovas and Tieman 1974.
Lovas, F.J., Krupenie, P. 1974. Microwave spectra of molecules of astrophysical interest. VII Carbon monoxide, carbon monosulfide and silicon monoxide. J. Phys. Chem. Ref. Data 3, 245-257.
Belov, S.P., Tretyakov,  M.Yu, Suenram, R.D. 1992. Improved laboratory rest frequency measurements and pressure shift and broadening parameters for the J = 2–1 and J = 3–2 rotational transitions of CO. Astrophys. J. 393, 848-851.

CO	CO	(continued)

Astrophysical detections:

Planetary atmospheres:	UV (electronic), IR (rovib.), radio (rot.)
Comets:	UV (electronic A1-X1+), IR (rovib.), radio (rot.)
Interstellar medium:	UV (electronic diffuse clouds), IR (rovib.), radio (rot.)
Extragalactic:	radio (rot.)

Kuiper, G.P., 1952. The Atmospheres of the Earth and Planets, rev. ed., Univ. of Chicago Press, p. 358-361.
Wilson, R.W., Jefferts, K.B., Penzias, A.A. 1970. Carbon monoxide in the Orion Nebulae.Astrophys. J. 161, L43-L44. (Radio detection.)
Smith, A, Stecher, T.P. 1971. Carbon monoxide in the interstellar spectrum of zeta ophiuchi. Astrophys. J. 164, L43-L47. (UV detection.)
Rickard, L.J., Palmer, P., Morris, M., Zuckermann, B., Turner, B.E. 1975. Detection of extragalactic carbon monoxide at millimeter wavelengths. Astrophys. J. 199, L75-L78.
Solomon, P.M., De Zafra, R. 1975. Carbon monoxide in external galaxies. Astrophys. J. 199, L79‑L83.
Feldman, P.D., Brune, W.H. 1976. Carbon production in comet West (1975n). Astrophys. J. 209, L45‑L48. (UV detection.)
Senay, M.C., Jewitt, D. 1994b.Coma formation driven by carbon monoxide release from comet Schwassmann-Wachmann 1. Nature 371, 229-231. (Radio detection.)

CO+	CO+	Carbon Monoxide Ion

2	C∞v

Photodissociation rate:

By quiet Sun at 1 AU:	= 5 10-6 s-1 (Cochran 1984)

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
		2183.9	
_________________________________________________________________________

Huber and Herzberg 1979.

For a complete description of CO+ spectroscopy:
Krupenie, P.H. 1966. The band spectrum of carbon monoxide. NSRD-NBS 5.

Rosmus, P., Werner, H.-J. 1982. Ab initio calculations of radiative transition probabilities in the X2+ and A2 electronic states of CO+. Molec. Phys. 47, 661-672. (Ab initio A(1-0) = 8 s-1.)
Chin, S., Person, W.B. 1984. J. Phys. Chem. 88, 553. (Ab initio A(1-0) = 20 s-1.)
Davies, P.B., Rothwell, W.J. 1985. Infrared laser spectrum of the fundamental band of CO+ (X2+). J. Chem. Phys. 83, 5450-5452.
Haridass, C., Prasad, C.V.V., Reddy, S.P. 1992. The comet-tail (A-X) system of CO+: precise molecular constants of its X2+, A2i, and B2+ states. Astrophys. J. 388, 669-677.

Rotational structure:

B = 59 270 MHz			 = (2.77) D

Poynter & Pickett. 28009
Bogey, M., Demuynck, C., Destombes, J.L. 1983. Equilibrium structure of CO+ from its millimeter wave spectrum. Breakdown of the Born-Oppenheimer approximation. J. Chem. Phys. 79, 4704-4707

Astrophysical detections:

Planetary atmospheres:	
Comets:	UV (electronic, B2+-X2+ 1st negative bands), visible (electronic: 
		A2i-X2+ comet-tail bands, B2+-A2i Baldet-Johnson bands), radio (rot.)
Interstellar medium:	radio (rot.)
Extragalactic:

Fowler, A. 1910. Investigations relating to the spectra of comets. Monthly. Notices Roy. Astron. Soc. 70, 484-496.
Erickson, N.R., Snell, R.L., Loren, R.B., Mundy, L., Plambeck, R.L. 1981. Detection of interstellar CO+ toward OMC-1. Astrophys. J. 245, L83-L86. (Misidentification: see next reference.)
Blake, G.A., Sutton, E.C., Masson, C.R., Phillips, T.G., Herbst, E., Plummer, G, De Lucia, F.C. 1984. 13CH3OH in OMC-1. Astrophys. J. 286, 586-590. (Report on the misdentification of CO+ in OMC-1.)
Latter, W.B., Walker, C.K., Mahoney, P.R. 1993. Detection of the carbon monoxide ion (CO+) in the interstellar medium and in a planetary nebula. Astrophys. J. 419, L97-L100.
Lis, D.C., Gardner, M., Phillips, T.G., Bockelée-Morvan, D., Biver, N., Crovisier, J., Rauer, H., Colom, P., Gautier, D., Despois, D. 1997. Comet C/1995 O1 (Hale-Bopp). IAU Circ. No 6573

COS	OCS	Carbonyl Sulphide

1+	C∞v

Photodissociation rate:

By quiet Sun at 1 AU:	= 8.0 10-5 s-1 (Huebner et al. 1992)
	= 9.4 10-5 s-1 (Crovisier, J.1994. Photodestruction rates for cometary parent molecules. J. Geoph. Res. Planets 99, 3777-3781)
Interstellar medium:	 = 2.4 10-9 s-1 (van Dishoeck 1988);  = 4.1 10-9 s-1 (Roberge et al. 1991)

Vibrational bands:
_________________________________________________________________________
band		a)	S	A	g	mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
		858.9	32.4	0.74	1.7 10-5	CS str.
		520.4	13. 	0.11	4.2 10-6	bend.
		2062.2	2400. 	314.  	2.5 10-3	CO str.
_________________________________________________________________________

Shimanouchi I.
a) Herzberg III.
GEISA (rot., 1, 3).
Smith et al. 1985, 1992.
Guelachvili and Rao I, II.
Blanquet, G., Walrand, J., Hilgers, I., Lambot, D., 1990. Spectral intensities in the 1 band of carbonyl sulfide and its isotopic species. J. Mol. Spect. 140, 295-300.
Maki, A.G., Wells, J.S., Burkholder, J.B. 1991. High-resolution measurements of the bands of carbonyl sulfide between 2510 and 3150 cm-1. J. Mol. Spect. 147, 173-181. (With relative intensities.)
Rbaihi, E., Belafhal, A., Vander Auwera, J., Naïm, S., Fay, A. 1998. Fourier transform spectroscopy of carbonyl sufide from 4800 to 8000 cm-1 and new global analysis of 16O12C32S. J. Mol. Spect. 191, 32-44.

1 and 3 are permuted in GEISA and Pugh and Rao 1976.

Rotational structure: linear.

B = 6 081.49 MHz			 = 0.715 D

Poynter & Pickett. 60001
Maki, A.G. 1974. Microwave spectra of molecules of astrophysical interest. VI. Carbonyl sulfide and hydrogen cyanide. J. Phys. Chem. Ref. Data. 3, 221-244.
Lovas 1978.

Astrophysical detections:

Planetary atmospheres:	IR (rovib. Venus)
Comets:	radio (rot.), IR (rovib.)
Interstellar medium:	radio (rot.)
Extragalactic:

Jefferts, K.B., Penzias, A.A., Wilson, R.W., Solomon, P 1971. Detection of interstellar carbonyl sulfide. Astrophys. J. 168, L111-L113.
Bézard, B., de Bergh, C., Crisp, D., Maillard, J.-P. 1990. The deep atmosphere of Venus revealed by high-resolution nightside spectra. Nature 345, 508-511.
Woodney, L.M., McMullin, J., A'Hearn, M.F. 1997. Detection of OCS in comet Hyakutake (C/1996 B2). Planet. Space Sci. 45, 717-719.

CO2	CO2	Carbon Dioxide

1+g	D∞h

Photodissociation rate:

By quiet Sun at 1 AU:	= 2.0 10-6 s-1 (Huebner et al. 1992)
Interstellar medium:	 = 6.5 10-10 s-1 (van Dishoeck 1988);  = 1.4 10-9 s-1 (Roberge et al. 1991)

Vibrational bands:
_________________________________________________________________________
band			S	A	g	mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	+g	1388.2	na			s-str.
	u	667.4	200.	1.4	8.2 10-5	bend.
	+u	2349.1	2230.	379. 	2.6 10-3	a-str.
_________________________________________________________________________

Shimanouchi I.
GEISA (2, 3, others).
Smith et al. 1985, 1992.
Guelachvili and Rao I.
Rothmann , L.S., Benedict, W.S. 1978. Infrared energy levels and intensities of carbon dioxide. Appl. Optics 17, 2605-2611.

Rotational structure: linear, non-polar.

B = 11 698.5 MHz			 = 0

18O isotopic species:

B = 11 037.9 MHz			 = 0.0007 D

Endo, Y., Yoshida, K., Saito, S., Horota, E. 1980. The microwave spectrum of carbon dioxide- 18O. J. Chem. Phys. 73, 3511-3512.
Gripp, J., Mäder, H., Dreizleir, H., Teffo, J.L. 1995. The microwave spectrum of carbon dioxide 17OCO and 18OCO. J. Mol. Spect. 172, 430-434.

Astrophysical detections:

Planetary atmospheres:	IR (rovib.)
Comets:	IR (rovib.)
Interstellar medium:	IR (rovib., ISO)
Extragalactic:

Combes, M. et al. 1986. Infrared sounding of comet Halley from Vega 1. Nature 321, 266-268.

CO2+	CO2+	Carbon Dioxide Ion

2g	D∞h

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	+g	1244.3	na			s-str.
	u	511.4				bend.
	+u	1469.				a-str.
_________________________________________________________________________

Jacox 1990.

Rotational structure: linear, non-polar.

B = 0.380 cm-1			 = 0

Astrophysical detections:

Planetary atmospheres:	
Comets:	UV (electronic B2+u-X2g), visible (electronic A2u-X2g)
Interstellar medium:	
Extragalactic:

Swings, P., Page, T.L. 1950. The spectrum of comet Bester (1947k). Astrophys. J. 111, 530-534.

CP	CP	CP Radical

2	C∞v

Photodissociation rate:

Infrared electronic bands:
_________________________________________________________________________
band			S	A	g	        
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
A2-X2+	6884.0
_________________________________________________________________________

Ram, R.S., Bernath, P.F. 1987. Fourier transform spectroscopy of the A2-X2+ system of CP. J. Mol. Spect. 122, 282-292.
Ram, R.S., Tam, S., Bernath, P.F. 1992. The A2-X2+ system of CP: observations of new bands. J. Mol. Spect. 152, 89-100.

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	1226.1		
_________________________________________________________________________

Huber and Herzberg 1979.

Rotational structure:

B =  23 859.9 MHz			 =  (0.86) D

Poynter & Pickett. 43004
Cologne 43501
Saito, S., Yamamoto, S., Kawaguchi, K., Ohishi, M., Suzuki, H., Ishikawa, S.I., Kaifu, N. 1989. The microwave spectrum of the CP radical and related astronomical searches. Astrophys. J. 341, 1114-1119.

Astrophysical detections:

Planetary atmospheres:	
Comets:	
Interstellar medium:	radio (rot.)
Extragalactic:

Guélin, M., Cernicharo, J., Paubert, G., Turner, B.E. 1990. Free CP in IRC+10216. Astron. Astrophys. 230, L9-L11.

CS	CS	Carbon Monosulphide

1	C∞v

Photodissociation rate:

By quiet Sun at 1 AU:	= 10-5 s-1 (Jackson, W, Halpern, J.B., Feldman, P.D., Rahe, J. 1982. Production of CS and S in comet Bradfield (1979 X). Astron. Astrophys. 107, 385-389)
Interstellar medium:	 = 6.3 10-10 s-1 (van Dishoeck 1988)

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
		1272.2		(15.)
_________________________________________________________________________

Huber and Herzberg 1979.
Burkholder, J.B., Lovejoy, E.R., Hammer, P.D., Howard, C.J. 1987. High resolution Fourier transform infrared spectra of 12C32S, 12C33S, 12C34S, and 13C32S. J. Mol. Spect. 124, 450-457.
Ram, R.S., Bernath, P.F., Davis, S.P. 1995. Fourier transform infrared emission spectroscopy of CS. J. Mol. Spect. 173, 146-157.
Chandra S., Kegel, W.H., LeRoy, R.J., Hertenstein, T. 1995. Einstein A-coefficients for vib-rotational transitions in CS. Astron. Astrophys. Suppl. Series 114, 175-177. (with dipole moment function from Botschwina, P. Sebald, P. 1985. J. Mol. Spect. 110, 1).

Rotational structure:

B = 24 495.6 MHz			 = 1.957 D

Poynter & Pickett. 44001
Cologne 44501
Lovas and Tieman 1974.
Lovas, F.J., Krupenie, P. 1974. Microwave spectra of molecules of astrophysical interest. VII. Carbon monoxide, carbon monosulfide and silicon monoxide. J. Phys. Chem. Ref. Data  3, 245-257.
Pagani, L., Gallego, A.T., Apponi, A.J. 2001. On the frequency of the CS (J :2-1) and (J :5-4) transitions. Astron. Astrophys. 380, 384-387.
Astrophysical detections:

Planetary atmospheres:	
Comets:	UV (electronic A1-X1+), radio (rot.)
Interstellar medium:	IR (rovib.), radio (rot.)
Extragalactic:	radio (rot.)

Smith, A, Stecher, T.P., Casswell, L., 1980. Production of carbon, sulfur and CS in comet West. Astrophys. J. 242, 402-410.
Penzias, A.A., Solomon, P, Wilson, R.W., Jefferts, K.B. 1971. Interstellar carbon monosulfide. Astrophys. J. 168, L53-L58.
Henkel, C., Bally, J. 1985. Detection of extragalactic CS. Astron. Astrophys. 150, L25-L27.

CS+	CS+	Carbon Monosulphide Ion

2	C∞v

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
		1384.		(2.07)
_________________________________________________________________________

Huber and Herzberg 1979.
Horani, M., Vervloet, M. 1992. Improved determination of the ground state molecular constants of the CS+ cation to aid possible astrophysical detection. Astron. Astrophys. 256, 683-685.
Blöker, J.M., Reinsch, E.-A., Rosmus, P., Werner, H.-J., Knowles, P.J. 1990. Theoretical radiative transition probabilities of the CS+ ion. Chem. Phys. 147, 99-108.

Rotational structure:

B = 25 909.0 MHz			 =  (0.51) D

Astrophysical detections: none.

CS2	CS2	Carbon Disulphide

1+g	D∞h

Photodissociation rate:

By quiet Sun at 1 AU:	= 2.9 10-3 s-1 (Huebner et al. 1992)
	= 1.7 10-3 s-1 (Jackson, W, Butterworth, P.S., Ballard, D. 1986. The origin of CS in comet IRAS-Araki-Alcock 1983 d. Astrophys. J. 304, 515-518.)
Interstellar medium:	 = 4.2 10-9 s-1 (van Dishoeck 1988);  = 6.1 10-9 s-1 (Roberge et al. 1991)

Vibrational bands:
_________________________________________________________________________
band		a)	Sb)	A	g	mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	g	658.0	na			s-str.
	u	396.7	23.2	0.07	7.7 10-6	bend.
	g	1532.5	2234. 	210.  	2.4 10-3	a-str.
_________________________________________________________________________

a) Herzberg III.
Shimanouchi I.
b) Pugh and Rao 1976.
Smith et al. 1992.
Walrand, J., Maree, P., Blanquet, G. 1992. Diode-laser spectrum of carbon disulfide CS2 in the region of 13.6 m. J. Mol. Spect. 155, 158-166. (Hot bands.)

Rotational structure: linear, non-polar.

B = 3270.7 MHz			 = 0

Astrophysical detections: none.

CSi	SiC	SiC Radical

3i	C∞v

Photodissociation rate:

Infrared electronic bands:
_________________________________________________________________________
band			S	A	g	        
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
d1+-b1	6103.4
A3--X3	4577.8
_________________________________________________________________________

Bernath, P.F., Rogers, S.A., O'Brien, L.C., Brazier, C.R., McLean, A.D. 1988. Theoretical predictions and experimental detection of the SiC molecule. Phys. Rev. Letters 60, 197-199. (d1+-b1 band.)
Brazier, C.R., O'Brien, L.C., Bernath, P.F. 1989. The A3--X3 transition of the SicC radical. J. Chem. Phys. 91, 7384-7391.

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
		953.2
_________________________________________________________________________

Huber and Herzberg 1979
Butenhoff, T.J., Rohlfing, E.A. 1991. The C3-X3 band system of the SiC radical. J. Chem. Phys. 95, 3939-3943.

Rotational structure:

B = 20 297.6 MHz			 = (1.7) D

Poynter & Pickett. 40003
Cologne 40501
Bogey, M., Demuynck, C., Destombes, J.L. 1990. Laboratory measurements of the submillimeter wave spectrum of SiC and isopotomers. Astron. Astrophys. 232, L19-L21.

Astrophysical detections:

Planetary atmospheres:	
Comets:
Interstellar medium:	circumstellar envelopes, radio (rot.)
Extragalactic:

Cernicharo, J., Gottlieb, C.A., Guélin, M., Thaddeus, P., Vrtilek, J 1989. Astronomical and laboratory detection of the SiC radical. Astrophys. J. 341, L25-L28.

CH	CH	Methyladyne Radical

2r	C∞v

Photodissociation rate:

By quiet Sun at 1 AU:	= 9.3 10-3 s-1 (Huebner et al. 1992)
	= 0.4-2.7 10-2 s-1depending upon heliocentric radial velocity (Singh P.D., Dalgarno A. 1987. Photodissociation lifetimes of CH and CD radicals in comets. ESA SP-278 177-180)
Interstellar medium:	 = 6.6 10-10 s-1 (van Dishoeck 1988);  = 8.6 10-10 s-1 (Roberge et al. 1991)

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
		2733.0		115.a)	6.4 10-4
_________________________________________________________________________

a) quoted in Bernath, 1990.
Bernath, P.F. 1987. The vibration-rotation emission spectrum of CH(X2). J. Chem. Phys. 86, 4838‑4842.
Zachwieja, M. 1995. New investigations of the A2-X2 band system in the CH radical a a new reduction of the vibration-rotation spectrum of CH from the ATMOS spectra. J. Mol. Spect. 170, 285-309.
Jorgensen, U.G., Larsson, M., Iwamae, A., Yu, B. 1996. Line intensities for CH and their application to stellar atmospheres. Astron. Astrophys. 315, 204-211.
Ghosh, P.N., Deo, M.N., Kawaguchi, K. 1999. Vibrational transition moment of the CH radical determined from the Herman-Wallis effect. Astrophys. J. 525, 539-542. (0.151 D)

Rotational structure:

B = 425 472.8 MHz			 = 1.46 D		-doubling

Poynter & Pickett. 13002
Cologne 13502
Bogey, M., Demuynck, C., Destombes, J.L. 1983.   doubling spectrum of the CH free radical in a RF glow discharge. Chem. Phys. Lett. 100, 105-109.
Brown, J, Evenson, K 1983. The microwave and far-infrared spectra of the CH radical. Astrophys. J. 268, L51-L56. (With a table of -doubling and rotational transitions.)
Amano, T. 2000. The lowest submillimeter-wave transitions of CH: the laboratory measurement of the rest frrequencies. Astrophys. J. 531, L161-L164.
Davidson, S.A., Evenson, K.M., Brown, J.M. 2001. A measurement of the rotational spectrum of the CH radical in the far-infrared. Astrophys. J. 546, 330-337.

Astrophysical detections:

Sun:		IR (rovib.)
Planetary atmospheres:	
Comets:	visible (electronic A2-X2r, B2--X2r)
Interstellar medium:	visible (electronic, diffuse clouds), IR (rot.), radio (-doubling)
Extragalactic:	radio (-doubling)

Nicolet, M. 1938. Les bandes de CH et la présence de l'hydrogène dans les comètes. Zs. Astrophys. 15, 154-159.
Adams, W.H. 1941. Some results with the coudé spectrograph on the Mount Wilson observatory. Astrophys. J. 93, 11-23. (Detection of interstellar CH in the visible.)
Rydbeck, O.E.H., Elldér, J., Irvine, W 1973. Radio detection of interstellar CH. Nature 246, 466‑468.

CH	CH	(continued)

Rydbeck, O.H.E., Kollberg, E., Hjalmarson, A., Sume, A., Elldér, J. 1976. Radio observations of Interstellar CH. I. Astrophys. J. Suppl. Series 31, 333-415. (The Onsala survey of interstellar CH at 6 cm and a review of the excitation of CH.)
Whiteoak, J.B., Gardner, F.F., Höglund, B. 1980. The detection of CH in external galaxies. Month. Not. Roy. Astron. Soc. 190, 17p-22p.
Stacey, G.J., Lugten, J.B., Genzel, R. 1987. Detection of interstellar CH in the far-infrared. Astrophys. J. 313, 859-866.
Grevesse, N., Lambert, D.L., Sauval, A.J., van Dishoeck, E.F., Farmer, C.B., Norton, R.H. 1991. Vibration-rotation bands of CH in the solar infrared spectrum and the solar carbon abundance. Astron. Astrophys. 242, 488-495. (With theoretical vibrational transition probabilities.)

CH+	CH+	Methylidyne Ion

1+	C∞v

Photodissociation rate:

By quiet Sun at 1 AU:  = 3.710-5 s-1 (Singh P.D., de Almeda A.A., Huebner W.F. 1991. The states of carbon and nitrogen atoms after photodissociationof CN, CH, CH+, C2, C3 and CO in comets. Icarus 90, 74-78)
Interstellar medium:	 = 2.5 10-10 s-1 (van Dishoeck 1988);  = 2.5 10-10 s-1 (Roberge et al. 1991)

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
		2753.6		
_________________________________________________________________________

Huber and Herzberg 1979.
Carrington, A., Ramsay, D.A. 1982. Some new emission bands of the A1-X1+ system of CH+. Phys. Scrip. 25, 272-274. (Gives ro-vibrational constants for the ground-state.)

Rotational structure:

B = 13.929 cm-1			 = D

Astrophysical detections:

Planetary atmospheres:	
Comets:	visible (electronic A1-X1+)
Interstellar medium:	visible (electronic, diffuse clouds), IR (rot.)
Extragalactic:

Swings, P. 1941. Considerations regarding cometary and interstellar molecules. Astrophys. J. 95, 270-280.
Cernicharo, J., Liu, X.-W., Gonzalez-Alfonso, E., Cox, P., Barlow, M.J., Lim, T., Swinyard, B.M. 1997. Discovery of far-infrared pure rotation transitions of CH+ in NGC 7027. Astrophys. J. 483, L65-L68.

CHN	HCN	Hydrogen Cyanide

1+	C∞v

Photodissociation rate:

By quiet Sun at 1 AU:  = 1.3  10-5 s-1 (Huebner et al. 1992)
	 = 1.51 10-5 s-1 (Bockelée-Morvan, D., Crovisier, J. 1985. Possible parents for the cometary CN radical: photochemistry and excitation conditions. Astron. Astrophys. 151, 90)
Interstellar medium:	 = 1.1 10-9 s-1 (van Dishoeck 1988);  = 1.3 10-9 s-1 (Roberge et al. 1991)

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
		2096.7	0.11a)	0.016	1.3 10-7	CN str.
		713.5	257.b)	1.70	9.5 10-5	bend
		3311.5	267.c)	84.9	3.9 10-4	CH str.
_________________________________________________________________________

Shimanouchi I
GEISA (rot., 2, 3, others).
Smith et al. 1985, 1992.
a) Smith, I.W 1981. J. Chem. Soc. Faraday Trans. 2nd Ser. 77, 2357
b) Kim., K., King, W.T. 1979. Integrated intensities in hydrogen cyanide. J. Chem. Phys. 71, 1967-1972.
c) Varghese, P.L., Hanson, R.K. 1984. Tunable diode laser measurements of spectral parameters of HCN at room temperature. J. Quant. Spect. Rad. Transfer 31, 545-559.

Rotational structure: linear. 

B = 44 316.0 MHz			 = 2.985 Da)

Poynter & Pickett. 27001
Cologne 27501
Maki, A.G. 1974. Microwave spectra of molecules of astrophysical interest. VI. Carbonyl sulfide and hydrogen cyanide. J. Phys. Chem. Ref. Data. 3, 221-244.
Lovas 1978.
a) Ebenstein, W.L., Muenter, J.S. 1984. Dipole moment and hyperfine properties of the ground state and the C-H excited vibrational state of HCN. J. Chem. Phys. 80, 3989-3991.
Nguyen-Van-Thanh, Rossi, I. 1991. Line parameters for the 2-100 cm-1 spectral range of HCN and DCN. J. Mol. Spect. 148, 160-179.
Nguyen-Van-Thanh, Rossi, I. 1993. Line parameters for the 1-200 GHz spectral range of HCN and DCN. J. Mol. Spect. 157, 68-83.

Astrophysical detections:

Planetary atmospheres:	radio (rot. Neptune, Titan), IR (rovib. Jupiter, Neptune, Titan)
Comets:	radio (rot.), IR (rovib.)
Interstellar medium:	radio (rot.), IR (rovib., circumstellar envelopes)
Extragalactic:	radio (rot.)

Snyder, L.E., Buhl, D. 1971. Observations of radio emission from interstellar hydrogen cyanide. Astrophysical. J. 163, L47-L52.
Rickard, L.J., Palmer, P., Turner, B.E., Morris, M., Zuckerman, B. 1977. Observations of extragalactic molecules. II. HCN and CS. Astrophys. J. 213, 390-393.

CHN	HCN	(continued)

Ridgway, S.T., Carbon, D.F., Hall, D.N.B. 1978. Polyatomic species contributing to the carbon-star 3 micron band. Astrophys. J. 225, 138-147.
Hanel, R., Conrath, B., Flasar, F, Kunde, V., Maguire, W., Perl, J., Pirraglia, J., Samuelson, R., Herath, L. 1981. Infrared observations of the Saturnian system from Voyager 1. Science 212, 192-200.
Tanguy, L., Bézard, B., Marten, A., Gautier, D., Gérard, E., Paubert, G., Lecacheux, A. 1990. Stratospheric profile of HCN on Titan from millimeter observations. Icarus 85, 43-57.
Huebner, W.F., Snyder, L.E., Buhl, D. 1974. HCN radio emission from comet Kohoutek (1973f). Icarus 23, 580-584. (Tentative detection.)
Despois, D., Crovisier, J., Bockelée-Morvan, D., Schraml, J., Forveille, T., Gérard, E. 1986. Observations of hydrogen cyanide in comet Halley. Astron. Astrophys. 160, L11-L12.

CHN	HNC	Hydrogen Isocyanide

1+	C∞v

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band		a)	Sb)	A	g	mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
		3652.7	(1470.)	600. 	2.2 10-3	NH str.
		464.2	(1570.)	5.2	4.8 10-4	bend.
		2023.9	(356.)	45. 	3.7 10-4	NC str.
_________________________________________________________________________

Jacox 1988.
a) Burkholder, J.B., Sinha, A., Hammer, P.D., Howard, C.J. 1987. High-resolution Fourier transform infrared spectroscopy of the fundamental bands of HNC. J. Mol. Spect. 126, 72-77.
b) Rogers, J.D., Hillmann, J.J. 1982. Ab initio calculation of infrared intensities for the linear isoelectronic series HCN, HNC, CO, HCO+, and HOC+. J. Chem. Phys. 77, 3615.
Northrup, F.J., Bethardy, G.A., Macdonald, R.G. 1997. Infrared absorption spectroscopy of HNC in the region 2.6 to 3.1 m. J. Mol. Spect. 186, 349-362.
Nezu, M., Amano, T., Kawaguchi, K. 1998. Transition dipole moments for the vibrational fundamentals of HNC determined from the Herman-Wallis effect. J. Mol. Spect. 192, 41-46.

Rotational structure: linear.

B = 45 332 MHz			 = 2.699 D

Poynter & Pickett. 27002
Colobje 27502
Lovas 1978.
Pearson, E.F., Creswell, R.H., Winnewisser, M., Winnewisser, G. 1976. The molecular structure of HNC and HCN derived from the eight stable isotopic species. Z. Naturforsch. 31a, 1394-1397.
Frerking, M.A., Langer, W.D., Wilson, R.W. 1979. Determination of the hyperfine structure of HN13C and HNC. Astrophys. J. 232, L65-L68.
Thorwirth, S., Müller, H.S.P., Lewen, F., Gendriesch, R., Winnewisser, G. 2000. The submillimeter-wave spectrum of hydrogenisocyanide, HNC, in its (0, 0, 0) and (0, 1, 0) vibrational states up to 2 THz. Ast ron. Astrophys. 363, L37-L39.

Astrophysical detections:

Planetary atmospheres:	
Comets:	radio (rot.)
Interstellar medium:	radio (rot.)
Extragalactic:	radio (rot.)

Snyder, L.E., Buhl, D. 1973. Interstellar methylacetylene and isocyanic acid. Nature Phys. Science 243, 45-46.
Henkel, C., Mauersberger, R., Schilke, P. 1988. Molecules in external galaxies: the detection of CN, C2H, and HNC, and the tentative detection of HC3N. Astron. Astrophys. 201, L23-L26.
Irvine, W.M., Bockelée-Morvan, D., Lis, D.C., Matthews, H.E., Biver, N., Crovisier, J., Davies, J.K., Dent, W.R.F., Gautier, D., Godfrey, P.D., Keene, J., Lovell, A.J., Owen, T.C., Phillips, T.G., Rauer, H., Schloerb, P., Senay, M., Young, K. 1996. Spectroscopic evidence for interstellar ices in comet Hyakutake. Nature 383, 418-420. (Detection of HNC.)

CHNO	HNCO	Isocyanic Acid
		Hydrogen Isocyanate

1A'	Cs

Photodissociation rate:

By quiet Sun at 1 AU:	= 7.7 10-5 s-1 (Jackson, W 1976. Laboratory observations of the photochemistry of parent molecules: a review. In The Study of Comets, NASA SP-393, 679-702)
	  = 2.9 10-5 s-1 (Huebner et al. 1992)
Interstellar medium:	 = 1.8 10-9 s-1 (Roberge et al. 1991)

Vibrational bands:
_________________________________________________________________________
band			S	A	g	mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	a'	3538.2				NH str.
	a'	2268.9				NCO a-str.
	a'	1327. 				NCO s-str.
	a'	776.6				bend.
	a'	577.3				bend.
	a"	656.3				torsion
_________________________________________________________________________

Shimanouchi II.
Jacox 1990.
Yamada, KT., Winnewisser, M., Johns, J.W.C. 1990. High resolution spectrum of the 1 fundamental band of isocyanic acid, HNCO. J. Mol. Spect. 140, 353-372.

Rotational structure:

A = 912 493.1 MHz			A = 1.57 D
B =  11 071.0 MHz			B = 1.35 D
C =  10 910.6 MHz

Poynter & Pickett. 43002
Winnewisser, G., Hocking, W.H., Gerry, M.C.L. 1976. Microwave spectra of molecules of astrophysical interest. X Isocyanic acid (HNCO). J. Phys. Chem. Ref. Data. 5, 79-101.
Fusina, L., Carlotti, M., Carli, B. 1984. Infrared spectrum of HNCO between 8 and 80 cm-1. Can. J. Phys. 62, 1452-1466.
Niedenhoff, M., Yamada, K.M.T., Belov, S.P., Winnewisser G. 1995. Pure rotational spectra of HNCO in the far infrared: ground state analysis.J. Mol. Spect. 174, 151-171

Astrophysical detections:

Planetary atmospheres:	
Comets:	radio (rot.)
Interstellar medium:	radio (rot.)
Extragalactic:

Snyder, L.E., Buhl, D. 1972. Interstellar isocyanic acid. Astrophys. J. 177, 619-623.
Buhl, D., Snyder, L.E., Edrich, J. 1972. An interstellar emission line from isocyanic acid at 1.4 centimeters. Astrophys. J. 177, 625-628.
Lis, D.C., Keene, J., Young, K., Phillips, T.G., Bockelée-Morvan, D., Crovisier, J., Schilke, P., Goldsmith, P.F., Bergin, E. 1997. CSO observations of comet C/1996 B2 (Hyakutake). Icarus (submitted).

CHNO	HOCN	Cyanic Acid

	Cs

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	a'	(3610.)				OH str.
	a'	(2294.)				CN str.
	a'	(1227.)				OH def.
	a'	(1082.)				CO str.
	a'	(460.)				OCN def.
	a"	
_________________________________________________________________________

Jacox 1990.
Bondybey, V.E., English, J.H., Mathews, C.W., Contolini, R.J. 1982. Infrared spectra and isomerization of CHNO species in rare gas matrices. J. Mol. Spect. 92, 431-442.

Rotational structure:

A = (668 000) MHz			A = (3.6) D
B =  (10 640) MHz			B = (1.7) D
C =  (10 470) MHz

McLen, A.D., Loew, G.H., Berkowitz, D.S. 1977. Structures and spectra of the isomers HNCO, HOCN, HONC and HCNO from ab initio quantum mechanical calculations.  J. Mol. Spect. 64, 184-198.
DeFrees, D.J., Loew, G.H., McLean, A.D. 1982. The rotational spectra of HOCO+, HOCN, HN3, and HNCO from quantum mechanical calculations. Astrophys. J. 254, 405-411.

Astrophysical detections: none.

CHNO	HCNO	Fulminic Acid

X	C∞v

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
		3336.1				CH str.
		2195.8				CNO a-str.
		1253.4				CNO s-str.
		537.2				CNO bend.
		224.1				HCN bend.
_________________________________________________________________________
3
Jacox 1990.

Rotational structure: linear

B = 11 469.1 MHz			B = 3.06 D

Winnewisser, M., Winnewisser, B.P. 1971. Centrifugal distorsion parameters of fulminic acid, HNCO, from the millimeter-wave rotational spectra. Z. Naturfrosch. 26a, 128-131.

Astrophysical detections: none.

CHNS	HNCS	Thioisocyanic Acid
		Hydrogen Isothiocyanate

	Cs

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	a'	3538.6
	a'	1989.0	
	a'	857.0	
	a'	582.9				bend.
	a'	469.2				bend.
	a"	523.1				bend.
_________________________________________________________________________

Draper, G.R., Werner, R.L. 1974. The rotational-vibrational spectra of HNCS and DNCS. An analysis of the high resolution spectra. J. Mol. Spect. 50, 369-402.
Ross, S.C., Niedenhoff, M., Yamada, K.M.T. 1994. Semi rigid bender determination of the quasilinear bending potential energy function of HNCS fromthe ground state rotational spectra. J. Mol. Spect. 164, 432-444.

Rotational structure:

A = 1 357 300.  MHz			A = 1.64 D
B =     5 883.5 MHz			B = 1.35 D
C =     5 845.6 MHz	

Yamada, K., Winnewisser, M., Winnewisser, G., Szalanski, L.B., Gerry, M.C.L. 1979. Ground state spectroscopic constants of isothiocyanic acid, HNCS, from its microwave and milimeter wave spectra combined with far infrared data. J. Mol. Spect. 78, 189-202.
Landolt-Börnstein 1982.

Astrophysical detections:

Planetary atmospheres:	
Comets:
Interstellar medium:	radio (rot.)
Extragalactic:

Frerking, M.A., Linke, R.A., Thaddeus, P. 1979. Interstellar isothiocyanic acid. Astrophys. J. 234, L143-L145.

CHO	HCO	Formyl Radical

2A'	Cs

Photodissociation rate 

By quiet Sun at 1 AU:	= 4 10-5 s-1 (guesstimate by Huebner and Fikani 1982)
Interstellar medium:	 = 1.0 10-9 s-1 (van Dishoeck 1988);  = 5.6 10-10 s-1 (Roberge et al. 1991)

Infrared electronic bands:
_________________________________________________________________________
band			S	A	g	        
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
A2A"()-X2A'	9297.	
_________________________________________________________________________

Jacox 1990. (Only 0.46-0.83 m observations are known.
Brown, J.M., Ramsay, D.A. 1975. Axis switching in the A2A"-X2A' transition of HCO: determination of molecular geometry. Can. J. Phys. 53, 2232-2241.

Vibrational bands:
_________________________________________________________________________
band			S	A	g	mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	a'	2434.5				CH str.
	a'	1080.8				bend.
	a'	1868.2				CO str.
_________________________________________________________________________

Jacox 1990.
Johns, J.W.C., McKellar, A.R.W., Riggin, M., 1977. Laser magnetic resonance spectroscopy of the 2 fundamental band of HCO at 9.25 m. J. Chem. Phys. 67, 2427-2435.
McKellar, A.R.W., Burkholder, J.B., Orlando, J.J., Howard, C.J. 1988. Fourier transform infrared spectrum of the 3 band of HCO. J. Mol. Spect. 130, 445-453.
Dane, C.B., Lander, D.R., Curl, R.F., Tittel, F.K., Guo, Y., Ochsner, M.I.F., Moore, C.B. 1988. Infrared flash kinetic spectroscopy of HCO. J. Chem. Phys. 88, 2121-2128.

Rotational structure:

A = 7 829 364.  MHz			A = 1.363 D
B =    44 788.  MHz			B = 0.700 D
C =    41 930.4 MHz

Poynter & Pickett. 29004
Pickett, H, Boyd, T.L. 1978. Microwave detection of photolysis products: HCO from acetaldehyde using mercury sensitization. Chem. Phys. Let. 58, 446-449.
Lovas 1978.

Astrophysical detections:

Planetary atmospheres:	
Comets:
Interstellar medium:	radio (rot.)
Extragalactic:

Snyder, L.E., Hollis, J, Ulich, B.L. 1976. Radio detection of the interstellar formyl radical. Astrophys. J. 208, L91-L94.

CHO+	HCO+	Formyl Ion

1+	C∞v

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
		3088.7		270.	1.3 10-3	CH str.
		829.7		3.	7.0 10-5	bend.
		2183.9		47.	3.5 10-4	CO str.
_________________________________________________________________________

Jacox 1990.
Rogers, J.D., Hillman, J.J. 1982. Ab initio calculations of infrared intensities for the linear isoelectronic series HCN, HNC, CO, HCO+, and HOC+. J. Chem. Phys. 77, 3615-3626.
Keim, E.R., Polak, M.L., Owrutsky, J.C., Coe, J.V., Saykally, R.J. 1990. Absolute infrared vibrational band intensities of molecular ions determined by direct laser absorption spectroscopy in fast ion beams. J. Chem. Phys. 93, 3111-3119.
Botschwina P. (quoted by Foster et al. 1984, J. Chem Phys. 81, 3424) computed band strengths of 7050 and 4484 cm2/mol for 1 and 3; what are these units ?
Mauclaire, G., Lemaire, J., Heninger, M., Fenistein, S., Parents, D.C., Marx, R. 1995. Radiative lifetimes for an ion of astrophysical interest: HCO+. Int. J. of Mass Spect. 149/150, 487-498. 

Rotational structure: linear.

B = 44 594.4 MHz			 = (4.48) D (Poynter & Pickett give 3.30.)

Poynter & Pickett. 29002
Lovas 1978.
Haese, N.N., Woods, R.C. 1979. Configuration interaction electric dipole moments for HCN, HNC, HNN+, HCO+, HBO, HBF+  and HCNH+. Chem. Phys. Lett. 61, 396-398.

Astrophysical detections:

Planetary atmospheres:	
Comets:	radio (rot.)
Interstellar medium:	radio (rot.)
Extragalactic:	radio (rot.)

Buhl, D., Snyder, L.E. 1970. Unidentified interstellar microwave line. Nature 228, 267-269.
Stark, A.A., Wolff, R.S., 1979. Some observations of extragalactic HCO+ and HCN. Astrophys. J. 229, 118-120.
Veal, J.M., Snyder, L.E., Wright, M.C.H., Forster, J.R., Hoffman, W., Pound, M., de Pater, I., Helfer, T., Plambeck, R.L., Engargiola, G., Wong, T., Woodney, L.M., A'Hearn, M.F., Palmer, P., Kuan, Y.-J. 1997. Comet 1995 O1 (Hale-Bopp). IAUC No 6575.

CHO+	HOC+	Hydroxymethylidynium	

1+	C∞v

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
		3268.0				OH str.
						bend.
						OC str.
_________________________________________________________________________

Jacox  1990.

Rotational structure: linear.

B = 44 743.9 MHz			 = (4.0) D 

Poynter & Pickett. 29007
Blake, G.A., Hellminger, P., Herbst, E., De Lucia, F.C. 1983. Laboratory millimeter and submillimeter spectrum of HOC+. Astrophys. J. 264, L69-L70.

Astrophysical detections:

Planetary atmospheres:	
Comets:
Interstellar medium:	radio (rot.) 
Extragalactic:	

Woods, R.C., Gudeman, C.S., Dickman, R.L., Goldsmith, P.F., Huguenin, G.R., Irvine, W.M., Hjalmarson, A., Nyman, L.-A., Olofsson, H. 1983. The [HCO+]/[HOC+] abundance ratio in molecular clouds. Astrophys. J. 270, 583-588. (Tentative detection of HOC+: a single line.)
Ziurys, L.M., Apponi, A.J. 1995. Confirmation of interstellar HOC+: reevaluating the [HCO+]/[HOC+] abundance ratio. Astrophys. J. 455, L73-L76.

CHO2	HOCO	Hydroxyformyl Radical	

2A'	Cs	trans

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	a'	(3602.)				OH str.
	a'	1852.6				CO str.
	a'	(1211.)				HOC bend.
	a'	(1065.)				CO str.
	a'	(615.)				OCO bend.
	a"	(515.)				torsion
_________________________________________________________________________

Jacox 1990.
Sears, T.J., Fawzy, W.M., Johnson, P.M. 1992. Transient diode laser absorption spectroscopy of the 2 fundamental of trans-HOCO and DOCO. J. Chem. Phys. 97, 3996-4007.

Rotational structure: 

A =  167 766.20 MHz			A = D
B =   11 433.   MHz			B = D
C =   10 686.52 MHz			C = D

Radford, H.E., WEI, W., Sears, T.J. 1992. The rotational spectrum of trans-HOCO and DOCO. J. Chem. Phys. 97, 3989-3995.
Sears, T.J., Radford, H.E., Moore,M.A. 1993. b-dipole transitions in trans-HOCO obsreved by far-infrared laser magnetic resonance. J. Chem. Phys. 98, 6624-6631.

Astrophysical detections: none

CHO2+	HOCO+	Protonated Carbon Dioxyde

	Cs

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	a'	3375.4				OH str.
	a'	(2300.)				OCO a-str.
	a'	(1500.)				OCO s-str.
	a'
	a'
	a"
_________________________________________________________________________

Jacox 1990.
Amano, T., Tanaka, K. 1985. Difference frequency laser spectroscopy of the 1 fundamental band of HOCO+. J. Chem. Phys. 83, 3721-3728.

Rotational structure: almost linear.

A = 789 938.5 MHz			A = (2.0) D
B =  10 773.6 MHz			B =  (2.8) D
C =  10 609.5 MHz

Poynter & Pickett. 45010
Bogey, M., Demuynck, C., Destombes, J.L. 1986. The submillimeter wave spectrum of the protonated and deuterated carbon dioxide. J. Chem. Phys. 84, 10-15.
Bogey, M., Demuynck, C., Destombes, J.L., Krupnov, A. 1988. J. Mol. Struct. 190, 465.

Astrophysical detections:

Planetary atmospheres:	
Comets:
Interstellar medium:	radio (rot.)
Extragalactic:

Thaddeus, P., Guélin, M., Linke, R.A. 1981. Three new "nonterrestrial" molecules. Astrophys. J. 246, L41-L45.

CHOS+	HOCS+	

	Cs

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
		3435.2				OH str.
		
	
	
	
	
_________________________________________________________________________

Jacox 1990.
Nakanaga, T., Amano, T. 1987. High-resolution infrared identification of HOCS+ with difference frequency laser spectroscopy. Mol. Phys. 61, 313-323.

Rotational structure:

A =  782 695.7 MHz			A =  D 
B =    5 750.6 MHz			B =  D 
C =    5 703.0 MHz			C =  D 

Astrophysical detections:

Planetary atmospheres:	
Comets:
Interstellar medium:	radio (rot., tentative)	
Extragalactic:

Turner, B.E. 1989. A molecular line survey of Sagittarius B2 and Orion-KL from 70 to 115 GHz. I. The observational data. Astrophys. J. Suppl. Series 70, 539-622. (Tentative detection of HOCS+: a single line is mentioned in a spectrum.)

CHP	HCP	Methinophosphide

1+	C∞v

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
		3216.9				CH str.
		674.7				bend.
		1278.3				CP str.
_________________________________________________________________________

Cabana, A., Doucet, Y., Garneau, J.P., Pépin, C., Puget, P. 1982. The vibration-rotation spectrum of methinophosphide: the overtone bands 21 and 23, the summation bands 1 + 2 and 2 + 3, and the difference band 1 - 2. J. Mol. Spect. 96, 342-350.

Rotational structure: linear.

B =  19 976.0 MHz			 =  0.390 D (From Lovas 1978; Johns et al and Turner et al 							give 0.3 D)

Lovas 1978.
Poynter & Pickett. 44010
Cologne 44502
Johns, J.W.C., Stone, JR., Winnewisser, G. 1971. Millimeter wave spectra of HCP and DCP. J. Mol. Spect. 38, 437-440.
Dréan, P., Demaison, J., Poteau, L., Denis, J.-M. 1996. Rotational spectrum and structure of HCP. J. Mol. Spect. 176, 139-145.

Astrophysical detections:

Planetary atmospheres:	
Comets:
Interstellar medium:	
Extragalactic:

Turner, B.E., Tsuji, T., Bally, J., Guélin, M., Cernicharo, J. 1990. Phosphorus in the dense interstellar medium. Astrophys. J. 365, 569-585. (Upper limits.)

CHS+	HCS+	Thioformyl Ion

	C∞v

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
		3141.7				CH str.
		766.5				bend.
						CS str.	
_________________________________________________________________________

Jacox 1990.

Rotational structure: linear.

B =  21 337.1 MHz			 = (1.86)  D

Poynter & Pickett. 45005
Gudeman, C.S., Haese, N.N., Piltch, N.D., Woods, R.C. 1981. The observation of the J = 1-2 transition of HCS+ in a laboratory glow discharge. Astrophys. J. 246, L47-L49.
Tang, J., Saito, S. 1995. Microwave spectra of the isotopomers of HCS+ and its substitution structure. Astrophys. J. 541, L93-L95.

Astrophysical detections:

Planetary atmospheres:	
Comets:
Interstellar medium:	radio (rot.)
Extragalactic:

Thaddeus, P., Guélin, M., Linke, R.A. 1981. Three new "nonterrestrial" molecules. Astrophys. J. 246, L41-L45.

CH2	CH2	Methylene Radical

3B1	C2v 

Photodissociation rate:

Interstellar medium:	 = 4.9 10-10 s-1 (van Dishoeck 1988)

Vibrational bands:
_________________________________________________________________________
band			S	A	g	mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	a1					s-str.
	a1	963.1				bend.
	b1	(3190.)				a-str.
_________________________________________________________________________

Jacox 1990.
Sears, T.J., McKellar, A.R.W., Bunker, P.R., Evenson, K, Brown, J 1984. Infrared and far-infrared transition frequencies for the CH2 radical. Astrophys. J.  276, 399-402. (Rotation  and 2 band.)
Marshall, M.D., McKellar, A.R.W. 1986. The 2 fundamental band of triplet CH2. J. Chem. Phys. 85, 3716-3723.
Jensen, P. 1988. Calculation of rotation-vibration line strengths for triatomic molecules using a variational approach. Aplication to the fundamental bands of CH2. J. Mol. Spect. 132, 429-457. (ab initio)

Rotational structure:

A = 2 190 285.1 MHz
B =   252 282.6 MHz			 = (0.57) D
C =   216 457.3 MHz

Lovas and Suenram 1989.
Ozeki, H., Saito, S. 1995. Laboratory submillimeter-wave spectroscopy of the CH2 (3B1) radical. Astrophysical J. 451, L97-L99.

Astrophysical detections:

Planetary atmospheres:	
Comets:
Interstellar medium:	radio (rot.)
Extragalactic:

Hollis, J.M., Jewell, P.R., Lovas, F.J. 1989. A search for methylene in the Orion Nebula. Astrophys. J.. 346, 794-798. (Tentative detection, low S/N.)
Hollis, J.M., Jewell, P.R., Lovas, F.J. 1995. Confirmation of interstellar methylene. Astrophys. J. 438, 259-264.

CH2+	CH2+	

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	a	(2899.)
	a	(996.)
	a	3131.4
_________________________________________________________________________

Rösslein, M., Gabrys, C.M., Jagod, M.-F., Oka, T. 1992. Detection of the infrared spectrum of CH2+. J. Mol.Spect. 153, 738-740.
Jensen, P., Brumm, M., Kraemer, W.P., Bunker, P.R. 1995. An ab initio calculation of the rovibronic energies of the CH2+ molecule. J. Mol. Spect. 172, 194-204.

Rotational structure: 

A = MHz		A = D
B = MHz		B = D
C = MHz		C = D

Astrophysical detections: none.

CH2N	H2CN	Methylene Amidogen

2B2	C2v

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	a1	(2820.)				CH2 s-str.
	a1	(1725.)				CN str.
	a1	(1337.)				CH2 scissors
	b1	(954.)				OPLA
	b2	(3103.)				CH2 a-str
	b2	(913.)				CH2 rock.
_________________________________________________________________________

Jacox 1988.
Cowles, D.C., Travers, M.J., Frueh, J.L., Ellison, G.B. 1991. Photoelectron spectroscopy of CH2N+. J. Chem. Phys. 94, 3517-3528.

Rotational structure: 

A = 284 336.1 MHz			A = (2.54) D
B =  39 158.4 MHz		
C =  34 254.4 MHz		

Cologne 28502
Yamamoto, S., Saito, S. 1992. The microwave spectrum of the CH2N radical in the X2B2 ground electronic state. J. Chem. Phys. 96, 4157-4162.

Astrophysical detections:

Planetary atmospheres:	
Comets:
Interstellar medium:	radio (rot.)
Extragalactic:

Ohishi, M., McGonagle, D., Irvine, W.M., Yamamoto, S., Saito, S. 1994. Detection of a new interstellar molecule, CH2N. Astrophys. J. 427, L51-L54.

CH2N+	HCNH+	Protonated Hydrogen Cyanide

	C∞v

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
		3482.8				NH str.
		3187.9				CH str.
		2155.7				CN str.
		801.6				HCN bend.
		645.9				HNC bend.
_________________________________________________________________________

Jacox 1990.
Altman, R.S., Crofton, M.W., Oka, T. 1984. High resolution infrared spectroscopy of the 1 (NH stretch) and 2 (CH stretch) bands of HCNH+. J. Chem. Phys. 81, 4255-4258.
Kajita, M., Kawaguchi, K., Hirota, E. 1988. Diode laser spectroscopy of the 3 (CN stretch) band of HCNH+. J. Mol. Spect. 127, 275-276.

Rotational structure: linear.

B =  37 055.7 MHz			 =  (0.29) D

Poynter & Pickett. 28008
Cologne 28504
Dardi, P.S., Dykstra, C.E. 1980. An ab initio prediction of the J = 1 <- 0 transition frequency of HCNH+. Astrophys. J. 240, L171-L173.
Bogey, M., Demuynck, C., Destombes, J.L. 1986. Millimeter and submillimeter wave spectrum of HCNH+. J. Chem. Phys. 83, 3703-3705.
Ziurys, L.M., Apponi, A.J., Yoder, J.T. 1992. Detection of the quadrupole hyperfine structure in HCNH+. Astrophys. J. 397, L123-L126.
Araki, M., Ozeki, H., Saito, S. 1998. Laboratory measurement of the pure rotational transitions of HCNH+ and its isotopic species. Astrophys. J. 496, L53-L56.

Astrophysical detections:

Planetary atmospheres:	
Comets:
Interstellar medium:	radio (rot.)
Extragalactic:

Ziuris, L, Turner, B.E. 1986. HCNH+: a new interstellar molecular ion. Astrophys. J. 302, L31-L36.

CH2N2	NH2CN	Cyanamide

1A1	C2v

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
		49.2				inversion
		
		
		
		
		
		
		
		
_________________________________________________________________________

Jones, T.R., Sheppard, N. 1970. Chem. Comm. 43, 248.

Rotational structure:

A =  310 885.  MHz			A =  4.32 D
B =   10 130.2 MHz
C =    9 866.4 MHz			C <  0.2  D (Poynter & Pickett give 0.96.)

Poynter & Pickett. 42003
Johnson D.R., Suenram R.D., Lafferty W.J. 1976. Laboratory microwave spectrum of cyanamide. Astrophys. J. 208, 245-252.
Birk, M., Winnewisser, M., Cohen, E.A. 1993. The high-resolution Fourier-transform far-inrared spectrum of cyanamide, H2NCN. J. Mol. Spect. 159, 69-78.
Moruzzi, G., Jabs, W., Winnewisser, B.P., Winnewisser, M. 1998. Assignment and power series analysis of the FIR Fourier transfor spectrum of cyanamide using a multimolecule Ritz program. J. Mol. Spect. 1  , 353-364.

Astrophysical detections:

Planetary atmospheres:	
Comets:
Interstellar medium:	radio (rot)
Extragalactic:

Turner B.E., Kislyakov A.G., Liszt H.S., Kaifu N. 1975. Microwave detection of interstellar cyanamide. Astrophys. J. 201, L149.

CH2O	H2CO	Formaldehyde
		Methanal

1A1	C2v

Photodissociation rate:

By quiet Sun at 1 AU:	= 2.8 10-4 s-1 (Huebner et al. 1992)
	= 2.010-4 s-1 (Crovisier, J.1994. Photodestruction rates for cometary parent molecules. J. Geoph. Res. Planets 99, 3777-3781)
Interstellar medium:		 = 6.7 10-10 s-1 (van Dishoeck 1988);  = 1.4 10-9 s-1 (Roberge et al. 1991)

Vibrational bands:
_________________________________________________________________________
band			Sa)	A	g	mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	a1	2782.5	307.	73.	3.9 10-4	CH2 s-str.
	a1	1746.0	300.	28.	2.6 10-4	CO str.
	a1	1500.2	47.	3.1	3.6 10-5	CH2 scis.
	b1	1167.3	26.	1.1	1.7 10-5	CH2 wag.
	b2	2843.3	356.	89.	4.6 10-4	CH2 a-str.
	b2	1249.1	40.	1.9	2.8 10-5	CH2 rock.
_________________________________________________________________________

Shimanouchi I. (With different numbering for 4, 5 and 6.)
GEISA (rot., 1, 2, 5, others).
Smith et al. 1985, 1992.
Brown, L.R., Hunt, R.H., Pine, A.S. 1979. Wavenumbers, line strengths, and assignments in the Doppler-limited spectrum of formaldehyde from 2700 to 3000 cm-1. J. Mol. Spect. 75, 406-428.
a) Nakanaga, T., Shigeo, K., Saëki, S. 1982. Infrared band intensities of formaldehyde and formaldehyde-d2. J. Chem. Phys. 76, 3860-3865.
Reuter, D.C., Nadler, S., Daunt, S.J., Johns, J.W.C. 1989. Frequency and intensity analysis of the 3, 4 and 6 bands of formaldehyde. J. Chem. Phys. 91, 646.

The HITRAN and GEISA banks, which are based upon Brown et al (1979), omit several lines of the 1 and 5 bands; they arbitrarily assign the same strengths to the components of several blended lines.
For a review of formaldehyde spectroscopy:
Clouthier, D.J., Ramsay, D.A. 1983. The spectroscopy of formaldehyde and thioformaldehyde. Ann. Rev. Phys. Chem. 34, 31-58.

Rotational structure: Slightly asymmetric top.

A = 281 970.54 MHz			A = 2.331 D
B =  38 836.05 MHz
C =  34 002.20 MHz

Poynter & Pickett. 30004
Cologne 30501
Johnson, D.R., Lovas, F.J., Kirchhoff, W.H. 1972. Microwave spectra of molecules of astrophysical interest. I. Formaldehyde, formamide and thioformaldehyde. J. Phys. Chem. Ref. Data. 1, 1011.
Jaruschewski, S., Chandra, S., Varshalovich, D.A., Kegel, W.H. 1986. Einstein A-values for rotational transitions in the H2CO molecule. Astron. Astrophys. Suppl. Series 63, 307-312.
Cornet, R., Winnewisser, G. 1980. A precise study of the rotational  spectrum of formaldehyde. J. Mol. Spec. 80, 438-452.

CH2O	H2CO	(continued)

Bocquet, R., Demaison, J., Poteau, L., Liedtke, M., Belov, S., Yamada, K.M.T., Winnewisser, G., Gerke, C., Gripp, J., Köhler, T. 1996. The ground state rotational spectrum of formaldehyde. J. Mol. Spect. 177, 154-159.
Müller, H.S.P., Winnewisser, G., Demaison, J., Perrin, A., Vamentin, A. 2000. The ground state spectroscopic constants of formaldehyde. J. Mol. Spect. 200, 143-144.

Astrophysical detections:

Planetary atmospheres:
Comets:	IR (rovib.), radio (rot.)
Interstellar medium:	radio (rot.)
Extragalactic:	radio (rot.)

Snyder, L.E., Buhl, D., Zuckerman, B., Palmer, P. 1969. Microwave detection of interstellar formaldehyde. Phys. Rev. Letters 22, 679-681.
Gardner, F.F., Whiteoak, J.B. 1974. Detection of formaldehyde in external galaxies. Nature 247, 526‑527.
Combes et al. 1988. The 2.5 to 12 microns spectrum of comet Halley from the IKS-VEGA experiment. Icarus 76, 404-436. (Possible detection of the 1 and 5 bands.)
Snyder, L.E., Palmer, P., de Pater, I. 1989. Radio detection of formaldehyde emission from comet Halley. Astron. J. 97, 246-253. (Tentative detection of the 6 cm line.)
Colom, P., Crovisier, J., Bockelée-Morvan, D., Despois, D., Paubert, G. 1992. Formaldehyde in comets: I. Microwave observations of P/Brorsen-Metcalf 1989 X, Austin (1989c1) and Levy (1990c). Astron. Astrophys. 264, 270-281.

CH2O2	HCOOH	Formic Acid
		Methanoic Acid

1A'	Cs

Photodissociation rate:

By quiet Sun at 1 AU:	= 8.8 10-4 s-1 (Huebner et al. 1992)
	= 3.210-5 s-1 (Crovisier, J.1994. Photodestruction rates for cometary parent molecules. J. Geoph. Res. Planets 99, 3777-3781)
Interstellar medium:	 = 6.7 10-10 s-1 (Roberge et al. 1991)

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	a'	3569.	246. 	97. 	3.6 10-4	OH str.
	a'	2942.	140. 	37. 	1.9 10-4	CH str.
	a'	1777.	1175. 	114. 	1.1 10-3	C=O str.
	a'	1381.	(3.) 	0.2	2.3 10-6	CH bend.
	a'	1223.	59. 	2.7	4.1 10-5	OH bend.
	a'	1104.	1025. 	38. 	6.6 10-4	C-O str.
	a'	625.	(87.) 	1.0	3.4 10-5	OCO def.
	a"	1033.	(3.) 	0.1	1.8 10-6	CH bend.
	a"	642.	662. 	8.3	2.6 10-4	torsion
_________________________________________________________________________

Shimanouchi I.
GEISA (6).
Smith et al. 1985.
Deroche, J.-C., Kauppinen, J., Kyrö, E. 1979. 7 and 9 bands of formic acid near 16 m. J. Mol. Spect. 78, 379.
Weber, W.H., Maker, P.D., Johns, J.W.C., Weinberger, E. 1987. Sub-Doppler laser-Stark and high-resolution Fourier transform spectroscopy of the 3 band of formic acid. J. Mol. Spect. 121, 243-260. (Gives dipole moments.)
Bermans, D., Figeys, H.P., Geerlings, P. 1988. Ab initio and LMO studies of the integrated intensities of infrared absorption bands of polyatomic molecules. 6. The formic acid monomer - influence of isotopic substitutions. J. Phys. Chem. 92, 61-65.
Bumgarner, R.E., Choe, J.-I., Kukolich, S.G. 1988. High resolution spectroscopy of the 6 and 8 bands of formic acid. J. Mol. Spect. 132, 261-276.
Notholt, J., Cappellani, F., Roesdahl, H., Restelli, G. 1991. Absolute infrared intensities and air broadening coefficients for spectroscopic measurements of formic acid in air. Spectrochim. Acta A 47, 477-483. (2, 3, and 6.)
Yokoyama, I., Miwa, Y., Machida, K. 1991. Extended molecular mechanics calculations of thermodynamic quantities, structure, vibrational frequencies, and infrared absorption intensities of formic acid monomer and dimer. J. Am. Chem. Soc. 113, 6458-6464.

Rotational structure:

A = 77 512.2 MHz			A = 1.421 D
B = 12 055.1 MHz			B = 0.210 D
C = 10 416.1 MHz

CH2O2	HCOOH	(continued)

Poynter & Pickett. 46005
Willemot, E., Dangoisse, D., Mannanteuil, N., Bellet, J. 1980. Microwave spectra of molecules of astrophysical interest. XVIII. Formic acid. J. Phys. Chem. Ref. Data. 9, 59.
Kuze, H., Kuga, T., Shimizu, T. 1982. Electric dipole moment of HCOOH in the ground and the 3 excited vibrational states. J. Mol. Spect. 93, 248-249.
Vander Auwera, J. 1992. High-resolution investigation of the far-infrared spectrum of formic acid. J. Mol. Spect. 155, 136-142.

Astrophysical detections:

Planetary atmospheres:	
Comets:	radio (rot.)
Interstellar medium:	radio (rot.)
Extragalactic:

Zuckerman, B., Ball, J.A., Gottlieb, C.A. 1971. Microwave detection of interstellar formic acid. Astrophys. J. 163, L41-L45.
Wink, J.E., Bockelée-Morvan, D., Biver, N., Colom, P., Crovisier, J., Gérard, E., Rauer, H., Despois, D., Moreno, R., Paubert, G., Davies, J.K., Dent, W.R.F. 1997. Comet C/1995 O1 (Hale-Bopp).IAU Circ. No 6599

CH2S	H2CS	Thioformaldehyde

1A1	C2v

This species is unstable in the laboratory.

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	a1	2971.0				CH2 s-str.
	a1	1457.3				CH2 scis.
	a1	1059.2				CS str.
	b1	990.2				CH2 wag.
	b2	3024.6				CH2 a-str.
	b2	991.0				CH2 rock.
_________________________________________________________________________

Clouthier, D.J., Ramsay, D.A. 1983. The spectroscopy of formaldehyde and thioformaldehyde. Ann. Rev. Phys. Chem. 34, 31-58. (A  review of thioformaldehyde spectroscopy.)
Jacox 1988.

Rotational structure:

A = 291 291.6 MHz			A = 1.649 D
B =  17 699.6 MHz
C =  16 651.8 MHz

Poynter & Pickett. 46003
Johnson, D.R., Lovas, F.J., Kirchhoff, W.H. 1972. Microwave spectra of molecules of astrophysical interest. I. Formaldehyde, formamide and thioformaldehyde. J. Phys. Chem. Ref. Data. 1, 1011.

Astrophysical detections:

Planetary atmospheres:	
Comets:	radio (rot.)
Interstellar medium:	radio (rot.)
Extragalactic:

Sinclair, M.W., Fourikis, N., Ribes, J.C., Robinson, B.J., Brown, R.D., Godfrey, P.D. 1973. Detection of interstellar thioformaldehyde. Aust. J. Phys. 26, 85-91.
Woodney, L., McMullin J., A'Hearn, M., Samarashina, N. 1997. Comet 1995 O1 (Hale-Bopp). IAUC No 6607.

CH3	CH3	Methyl Radical

2A"2	D3h

Photodissociation rate:

Interstellar medium:	 = 3.2 10-10 s-1 (van Dishoeck 1988)

Vibrational bands:
_________________________________________________________________________
band			S	A	g	mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	a'1	3004.4	na			CH str.
	a"2	606.5	611.	6.9	2.3 10-4	OPLA
	e'	3160.8		5.3	4.8 10-5	CH str.
	e'	1396. 				def.
_________________________________________________________________________

Smith et al. 1985, 1992.
Jacox 1990.
Snelson, A. 1970. J. Phys. Chem. 74, 537. (Relative intensities of 2 and 3.)
Yamada, C., Hirota, E., Kawaguchi, K., 1981. Diode laser study of the 2 band of the methyl radical. J. Chem. Phys. 75, 5256-5264.
Amano, T., Bernath, P.F., Yamada, C., Endo, Y., Hirota, E. 1982. Difference frequency laser spectroscopy of the 3 band of the CH3 radical. J. Chem. Phys. 77, 5284-5287.
Yamada, C., Hirota, E. 1983. The transition dipole moment of the 2 band of the methyl  radical. J. Chem. Phys. 78, 669-671. (0.280±0.049 D)
Triggs, N.E., Zahedi, M., Nibler, J.W., De Barber, P., Valentini, J.J. 1992. High resolution of the 1 vibration of CH3 by coherent Raman photofragment spectroscopy. J. Chem. Phys. 96, 1822‑1831.
Tanarro, I., Sanz, M.M., Domingo, C., Bermejo, D., Santas, J., Domenech, J.L. 1994.Transition dipole moment of the 3 band of CH3. J. Phys. Chem. 98, 5862-5866.
Bethardy, G.A., Macdonald, R.G. 1995. Direct measurement of the transition dipole moment of the 3 asymmetric C-H stretching vibration of the CH3 radical. J. Chem. Phys. 103, 2863-2872.

Rotational structure: planar oblate symmetric top, non-polar.

A = B = 9.577 89 cm-1
C = 4.752 cm -1			 = 0

Astrophysical detections: 

Planetary atmospheres:	IR (rovib.)
Comets:
Interstellar medium:	IR (rovib.)
Extragalactic:

Bézard, B., Feuchtgruber, H., Moses, J., Encrenaz, T. 1998. Detection of methyl radicals (CH3) on Saturn. Astron. Astrophys. 334, L41-L44.
Feuchtgruber, H., Helmich, F.P., van Dishoeck, E.F., Wright, C.M. 2000. Detection of interstellar CH3. Astrophys. J. 535, L111-L114.

CH3+	CH3+	

1Ai	D3h

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	a'1	(2901.)	na			CH str.
	a"2	1391. 	(34.)	2.0	2.7 10-5	OPLA
	e'	3108.4	(500.)	500. 	6.9 10-4	CH str.
	e'	(1399.)	(175.)	11. 	1.4 10-4	def.
_________________________________________________________________________

Jacox 1988.
Kraemer, W.P., Spirko, V., 1991. Potential energy function and rotation-vibration energy levels of CH3+. J. Mol. Spect. 149, 235-241. (ab initio).
Pracna, P., Spirko, V., Kraemer, W.P. 1993. Ab initio study of linestrengths of vibration-rotation transitions of ammonia and methyl cation. J. Mol. Spect. 158, 433-444.

Rotational structure: planar oblate symmetric-top, non-polar.

A = B = 9.362 cm-1
C = MHz				 = 0	

Astrophysical detections: none.

CH3N	CH2NH	Methanimine
	Methyleneimine, Formaldimine

1A'	Cs

Photodissociation rate:

Interstellar medium:	 = 3.5 10-9 s-1 (Roberge et al. 1991)

Vibrational bands:
_________________________________________________________________________
band			S	A	g	mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	a'	3262.6				NH str
	a'	3024.4				CH str.
	a'	2914.2				CH str.
	a'	1638.3				CN str.
	a'	1452.0				CH2 scis.
	a'	1344.3				HCNH def.
	a'	1058.2				HCNH def.
	a"	1127.0				torsion
	a"	1060.8				H2CN OPLA
_________________________________________________________________________

Jacox 1988.
Smith et al. 1992.
Hamada, Y., Hashiguchi, K., Tsuboi, M., Koga, Y., Kondo, S. 1984. Pyrolysis of amines: infrared spectrum of methyleneimine. J. Mol. Spect. 105, 70-80.
Halonen, L., Duxbury, G. 1985.The Fourier transform infrared spectrum of methylenimine in the 10 m region. J. Chem. Phys. 83, 2078-2090.
Halonen, L., Duxbury, G. 1985. High resolution infrared spectrum of methylenimine, CH2NH, in the 3 m region. J. Chem. Phys. 83, 2091-2096.
Halonen, L., Duxbury, G. 1986. Infrared transition frequencies for methyleneimine, CH2NH. Astrophys. J.  303, 897-900. (9-12 m.)
Halonen, L., Deeley, C.M., Mills, I.M. 1986. Intensities in the 7, 8, and 9 bands of CH2NH and the harmonic force field of methylenemine. J. Chem. Phys. 85, 692-696.

Rotational structure:

A = 196 211.0 MHz			A = 1.325 D
B =  34 532.4 MHz			B = 1.530 D
C =  29 352.2 MHz

Poynter & Pickett. 29003
Kirchhoff, W.H., Johnson, D.R., Lovas, F.J. 1973. Microwave spectra of molecules of astrophysical interest. II Methylenimine (CH2NH). J. Phys. Chem. Ref. Data. 2, 1-10.

Astrophysical detections:

Planetary atmospheres:	
Comets:
Interstellar medium:	radio (rot.)
Extragalactic:

Godfrey, P.D., Brown, R.D., Robinson, B.J., Sinclair, M.W. 1973. Discovery of interstellar methanimine (formaldimine). Astrophys. J. Letters 13, 119-121.

CH3NO	NH2HCO	Formamide

Photodissociation rate:

By quiet Sun at 1 AU:	= 6.7 10-4 s-1 (Jackson, W 1976. Laboratory observations of the photochemistry of parent molecules: a review. In The Study of Comets, NASA SP-393, 679-702)

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	a'	3563.7			
	a'	3439.3	
	a'	2853.6	
	a'	1754.1	
	a'	1578.9	
	a'	1390.7	
	a'	1258.2	
	a'	1045.7	
	a'	565.8	
	a"	1033.3	
	a"	602.4	
	a"	289.0	
_________________________________________________________________________

McNaughton, D., Evans, C.J., Lane, S., Nielsen, C. 1999. The high-resolution FTIR far-infrared spectrum of formamide. J. Mol. Spect. 193, 104-117

Rotational structure:

A = 72 717.0 MHz			A = 3.616 D
B = 11 373.5 MHz			B = 0.852 D
C =  9 833.9 MHz

Poynter & Pickett. 45003
Johnson, D.R., Lovas, F.J., Kirchhoff, W.H. 1972. Microwave spectra of molecules of astrophysical interest. I. Formaldehyde, formamide and thioformaldehyde. J. Phys. Chem. Ref. Data. 1, 1011.

Astrophysical detections:

Planetary atmospheres:	
Comets:	radio (rot.)
Interstellar medium:	radio (rot.)
Extragalactic:

Rubin, R.H., Swenson, G.W. Jr, Benson, R.C., Tigelaar, H.L., Flygare, W.H. 1971. Detection of interstellar formamide. Astrophys. J. 169, L39-L44.
Mehringer, D., Colom, P., Benford, D., Bockelée-Morvan, D., Despois, D., Paubert, G., Germain, B., Biver, N., Crovisier, J., Gautier, D., Gérard, E., Rauer, H., Lis, D.C., Phillips, T.G., Moreno, R., Davies, J.K., Dent, W.R.F. 1997. Comet C/1995 O1 (Hale-Bopp). IAU Circ. No 6614.

CH3O	CH3O	Methoxy Radical	

2E	C3v

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	a1	2840.				CH3 str.
	a1	1362.				CH3 umbr.
	a1	1047.				CO str.
	e	2774.				CH3 str.
	e	1487.				CH2 scis.
	e	653.				HCO def.
_________________________________________________________________________

Jacox 1990.

Rotational structure: prolate symmetric top.

A = 160 050.3 MHz			A = D	
B = C = 27 929.85 MHz

Endo, Y., Saito, S., Hirota, E. 1984. The microwave spectrum of the methoxy radical CH3O. J. Chem. Phys. 81, 122-135.
Momose, Y., Endo, Y., Hirota, E., Shida, T. 1988. The submillimeter-wave spectrum of the 13CH3O radical. J. Chem. Phys. 88, 5338-5343. (With new results for CH3O.)

Astrophysical detections: none.

CH3O+	H2COH+	Protonated Formaldehyde	

X	X

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
		3422.				OH str.
		1650.				CO str.
		1370.				CH2 def.
_________________________________________________________________________

Jacox  1990.

Rotational structure: 

A = 197 581.6 MHz			A =  (1.44) D
B =  34 350.6MHz			B =  (1.77) D (Botchwina 1995, quoted by Ohishi et al.)
C =  29 172.7 MHz

Cologne 031504
Amano, T., Warner, H.E. 1989. Laboratory detection of protonated formaldehyde (H2COH+). Astrophys. J. 342, L99-L101.
Chomiak, D., Taleb-Bendiab, A., Civis, S., Amano, T. 1994. Millimetre-wave detection of H2COH+. Can. J. Phys. 72, 1078-1081.

Astrophysical detections:

Planetary atmospheres:	
Comets:
Interstellar medium:	radio (rot.)
Extragalactic:

Ohishi, M., Ishikawa, S., Amano, T., Oka, H., Irvine, W.M., Dickens, J.E., Ziurys, L.M., Apponi, A.J. 1996. Detection of a new interstellar molecular ion, H2COH+ (protonated formaldehyde). Astrophys. J. 471, L61-L64.

CH3P	CH2PH	Methilenephosphine

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
			
			
			
			
			
			

_________________________________________________________________________

Rotational structure:

A =  MHz			A =  D
B =  MHz			B =  D
C =  MHz

Astrophysical detections: none.

CH4	CH4	Methane

1A1	Td

Photodissociation rate:

By quiet Sun at 1 AU:	= 7.6 10-6 s-1 (Huebner et al. 1992)
	= 9.2 10-6 s-1 (Allen et al. 1987, Astron. Astrophys. 187, 502)
Interstellar medium:	 = 8.1 10-10 s-1 (van Dishoeck 1988);  = 9.8 10-10 s-1 (Roberge et al. 1991)

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	a1	2916.5	na, 0.032	0.008	4.2 10-8	sym. str.
	e	1533.6	na, 1.5	0.06 	1.3 10-6	deg. def.
	f2	3019.5	298.	28.   	4.0 10-4	deg. str.
	f2	1306.2	146.	2.6  	1.1 10-4	deg. def.
_________________________________________________________________________

Shimanouchi I.
GEISA (3, 4, others).
Smith et al. 1985, 1992.
Loete, M., Hilico, J.C., Qasri, M.B. 1986. Intensités absolues des transitions de vibration-rotation des bandes 2 et 4 du methane 12CH4. J. Can. Phys. 64, 1551-1565.

Rotational structure: spherical top, non-polar.

A = B = C = 157 127.2 MHz		 = 2.4 10-5 D (centrifugal distorsion induced)

Ozier, I., Gerry, M.C.L., Robiett, A.G. 1981. Microwave spectra of molecules of astrophysical interest. XX. Methane. J. Phys. Chem. Ref. Data 11, 1085.
Lovas and Suenram 1989.

Astrophysical detections:

Planetary atmospheres:	IR (rovib)
Comets:	IR (rovib)
Interstellar medium:	IR (rovib)
Extragalactic:

Hanel, R., Conrath, B., Flasar, F, Kunde, V., Maguire, W., Perl, J., Pirraglia, J., Samuelson, R., Herath, L. 1981. Infrared observations of the Saturnian system from Voyager 1. Science 212, 192-200.
Lacy, J.H., Carr, J.S., Evans II, N.J., Baas, F., Achtermann, J, Arens, J.F. 1991. Discovery of interstellar methane: observations of gaseous and solid CH4 absorption toward young stars in molecular clouds. Astrophys. J.  376, 556-560.
Mumma, M.J., DiSanti, M.A., Dello Russo, N., Fomenkova, M., Magee-Sauer, K., Kaminski, C.D., Xie, D.X. 1966b. Detection of abundant ethane and methane, along with carbon monoxide and water, in comet C/1996 B2 Hyakutake): evidence for interstellar origin. Science 272, 1310-1314.

d-CH4	CH3D	d-Methane

	C3v

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	a1	2945.	25.	6.7 	3.3 10-5	CH3 s-str.
	a1	2200.	19.8 	3.0 	2.2 10-5	CD str.
	a1	1300.	58.	3.0 	4.3 10-5	CH3 s-def.
	e	3017.	404.	57.  	5.5 10-4	CH3 d-str.
	e	1471.	12.	0.40	9.8 10-6	CH3 d-def.
	e	1155.	70.	1.4 	4.7 10-5	CH3 rock
_________________________________________________________________________

Shimanouchi I.
HITRAN (GEISA gives erroneous total band intensities).
Smith et al. 1985, 1992.
Chackerian, C., Jr., Guelachvili, G. 1983. Direct retrieval of line parameters: absolute line intensities for the 2 band of CH3D. J. Mol. Spect. 97, 316-322.

Rotational structure: prolate symmetric top.

A = 157 412. MHz			A = 0.0056 D
B = C = 116 325. MHz

Poynter & Pickett. 17003

Astrophysical detections:

Planetary atmospheres:	IR (rovib)
Comets:	
Interstellar medium:	radio (rot. tentative - upper lim)
Extragalactic:

Beer, R., Taylor, F.W. 1978. The D/H and C/H ratios in Jupiter from the CH3D phase. Astrophys. J. 219, 763-767.
Womack, M., Ziurys, L.M., Apponi, A.J., Yoder, J.T. 1994. Interstellar CH3D: deuterated methane in the Orion hot core.? In Molecules and Grains in Space, I. Nenner edt., AIP Conf. Proc. 312, 305-310.

CH4N2O	(NH2)2CO	Urea

	C2v

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	a1	
	a1	
	a1	
	a1	
	a1	
	a1	
	a1	
	a2		na
	a2		na
	b1	
	b1	
	b1	
	b2	
	b2	
	b2	
	b2	
	b2	
	b2	
_________________________________________________________________________

Steward, J.E. 1957. Infrared absorption spectra of urea, thiourea, and some thiourea-alkali halide complexes. J. Chem. Phys. 26, 248-254. (Solid and in solution.)
Li, X.C., Stoterbury, S.J., Jayasooriya, U.A. 1987. Infrared spectra of urea isolated in a solid argon matrix. Spect. Act. A 43, 1595-1597.

Rotational structure: 

A = 11 233.3 MHz
B = 10 369.4 MHz			B = 3.83 D
C =  5 416.7 MHz

Landolt-Börnstein 1982.

Astrophysical detections: none.

CH4O	CH3OH	Methanol

	Cs

Photodissociation rate:

By quiet Sun at 1 AU:	= 1.2 10-5 s-1 (Huebner et al. 1992)
	 = 4.8 10-5 s-1 (Jackson, W 1976. Laboratory observations of the photochemistry of parent molecules: a review. In The Study of Comets, NASA SP-393, 679-702)
	= 1.310-5 s-1 (Crovisier, J.1994. Photodestruction rates for cometary parent molecules. J. Geoph. Res. Planets 99, 3777-3781)
Interstellar medium:	 = 9.4 10-10 s-1 (van Dishoeck 1988);  = 2.0 10-9 s-1 (Roberge et al. 1991)

Vibrational bands:
_________________________________________________________________________
banda)		a)	S	A	g	mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	a'	3681.	89. b)	37. 	1.3 10-4	OH str.
	a'	2999.	516. b)	with 3, 9	7.0 10-4	CH3 a-str.
	a'	2844.				CH3 s-str.
	a'	1478.	118. b)	with 5, 6, 10, 11	1.0 10-4	CH3 a-bend.
	a'	1454.				CH3 s-bend.
	a'	1335.				OH bend.
	a'	1075.				CH3 rock.
	a'	1033.	406. c)	13. 	2.5 10-4	CO str.
	a"	2970.				CH3 a-str.
	a"	1465.				CH3 a-bend.
	a"	1145.				CH3 rock.
	a"	270.	230. b)	0.5	4.0 10-5	torsion
_________________________________________________________________________

a) Shimanouchi I.
Herzberg II and others give a different numbering for the vibrational bands.
Falk, M., Whalley, E. 1961. Infrared spectra of methanol and deuterated methanols in gas, liquid and solid phases. J. Chem. Phys. 34, 1554-1568.
Serrallach, A., Meyer, R., Günthard, Hs.H. 1974. Methanol and deuterated species: infrared data, valence force field, rotamers, and conformation. J. Mol. Spect. 52, 94-129.
Broun, E.V. 1967. Changes in the intensity of X-H stretching vibrations during the transition from gas to CCl4 solutions. Optic. Spect. 23, 301-304.
Stuart, A.V., Sutherland, G.B.B. 1956. Effect of hydrogen bonding on the deformation frequencies of the hydroxyl group in alcohols. J. Chem. Phys. 24, 559-570.
b) Rogers, D.J. 1980. Infrared intensities of alcohols and ethers. Ph D dissertation, University of Florida.
c) Dang-Nhu, M., Blanquet, G., Walrand, J., Allegrini, M., Moruzzi, G. 1990. Intensities of the CO stretch band of CH3OH at 9.7 m. J. Mol. Spect. 141, 348-350.
Kleiner, I., Fraser, G.T., Hougen, J.T., Pine, A.S. 1991. Molecular-beam optothermal spectrum of the OH stretching band of methanol. J. Mol. Spect. 147, 155-172. (Analysis of the 1 band, sub-thermal.)
Xu, L.H., Wang, X., Cronin, T.J., Perry, D.S., Fraser, G.T., Pine, A.S. 1997. Sub-Doppler, infrared spectra and torsion-rotation energy manifold of methanol in the CH-stretch fundamental region. J. Mol. Spect. 185, 158-172.

Rotational structure: slightly asymmetric top.

A = 127 484  MHz			A = 0.885 D
B =  24 680.0 MHz			B = 1.440 D
C =  23 769.7 MHz

CH4O	CH3OH	(continued)

Poynter & Pickett. 32003
Lees, R, Lovas, F.J., Kirchhoff, W.H., Johnson, D.R. 1973. Microwave spectra of molecules of astrophysical interest. III. Methanol. J. Phys. Chem. Ref. Data. 2, 205-223.
Pei, C.C., Zeng, Q., Gou, Q.Q. 1988. Einstein A-values of A-type methanol. Astron. Astrophys. Suppl. Series 76, 35-52.
Moruzzi, G., Strumia, F., Carnesecchi, P., Carli, B., Carlotti, M. 1989. High resolution spectrum of CH3OH between 8 and 100 cm-1. Infrared Phys. 29, 47-86.
Anderson, T., De Lucia, F.C., Herbst, E. 1990. Additional measurements and a refined analysis of the millimeter- and submillimete-wave spectrum of methanol. Astrophys. J. Suppl. Series 72, 797‑814.
Anderson, T., Herbst, E., De  Lucia, F.C. 1990. The millimeter- and submillimeter-wave spectrum of 13CH3OH revisited. Astrophys. J. Suppl. Series 74, 647-664.
Anderson, T., Herbst, E., De Lucia, F.C. 1992. An extension of the high-resolution millimeter- and submilimeter-wave spectrum of methanol to high angular momentum quantum numbers. Astrophys. J. Suppl. Series 82, 405-444.
Matsushima, F., Evenson, K.M., Zink, L.R. 1994. Absolute frequency measurements of methanol from 1.5 to 6.5 THz. J. Mol. Spect. 164, 517-530.
Xu, L.-H., Hougen, J.T. 1995. Global fit of torsional-rotational transitions in the ground and first excited torsional states of methanol.J. Mol. Spect. 173, 540-551.
Belov, S.P., Winnewisser, G., Herbst, E. 1995. The high-resolution rotational-torsional spectrum of methanol from 0.55 to 1.2 THz.J. Mol. Spect. 174, 253-269.
Xu, L.-H., Lovas, F.J. 1997. Microwave spectra of molecules of astrophysical interest. XXIV. Methanol (CH3OH and 13CH3OH). J. Phys. Chem. Ref. Data. 26, 17-140.

Numerous studies of the rotation-torsion spectrum.

Astrophysical detections:

Planetary atmospheres:	
Comets:	radio (rot.), infrared (vib., to be confirmed)
Interstellar medium:	radio (rot., maser lines)
Extragalactic:	radio (rot., maser lines)

Ball, J.A., Gottlieb, C.A., Lilley, A.E., Radford, H.E. 1970. Detection of methyl alcool in Sagittarius. Astrophys. J. 162, L203.
Henkel, C., Jacq, T., Mauersberger, R., Menten, K., Steppe, H. 1987. The detection of extragalactic methanol. Astron. Astrophys. 188, L1-L4.
Bockelée-Morvan, D., Colom, P., Crovisier, J., Despois, D., Paubert, G. 1991. Microwave detection of hydrogen sulphide and methanol in comet Austin (1989c1). Nature 350, 318-320.
Hoban, S., Mumma, M., Reuter, D., DiSanti, M., Joyce, R.R., Storrs, A. 1991. A tentative identification of methanol as the progenitor of the 3.52-m emission feature in several comets. Icarus 93, 122-134.

CH4S	CH3SH	Methyl Mercaptan
		Methanethiol

1A'	Cs

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
		2869.	
		2607.	
		1335.	
		704.	
		3010.	
		1475., 1430.	
		1060., 957.	
		803.	
_________________________________________________________________________

Herzberg III.

Rotational structure:

A =  102 691.2 MHz			A =  1.312 D
B =   12 947.3 MHz			B =  0.758 D
C =   12 386.2 MHz

Lees, R.M., Mohammadi, M.A. 1980. Millimeter wave spectrum of methyl mercaptan. Can. J. Phys. 58, 1640-1650.
Landolt-Börnstein 1982.
Sastry, K.V.L.N., Herbst, E., Booker, R.A., DeLucia, F.C. 1986. The millimeter-wave spectrum of methyl mercaptan. J. Mol. Spect. 116, 120-135.
Nakagawa, K., Johns, J.W.C. 1989. High-resolution far-infrared spectrum of CH3SH.J. Mol. Spect. 138, 102-107.
Tsunekawa, S., Taniguchi, I., Tambo, A., Nagai, T., Kojima, T. 1989. Microwave spectrum of CH3SD. (Dipole moment). J. Mol. Spect. 134, 63-71.
Bettens, F.L., Sastry, K.V.L.N., Herbst, E., Albert, S., Oesterling, S.C., De Lucia, F.C. 1999. The millimeter- and submillimeter-wave spectrum of methyl mercaptan (CH3SH). Astrophys. J. 510, 789-794.

Astrophysical detections:

Planetary atmospheres:	
Comets:
Interstellar medium:	radio (rot.)
Extragalactic:

Linke, R.A., Frerking, M.A., Thaddeus, P. 1979. Interstellar methyl mercaptan. Astrophys. J. 234, L139-L142.

CH5N	CH3NH2	Methylamine

1A'	Cs

Photodissociation rate:

By quiet Sun at 1 AU:	= 6.7 10-4 s-1 (Jackson, W 1976. Laboratory observations of the photochemistry of parent molecules: a review. In The Study of Comets, NASA SP-393, 679-702)
Interstellar medium:	 = 2.0 10-9 s-1 (Roberge et al. 1991)

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	a'	3361.				NH2 s-str.
	a'	2961.				CH3 d-str.
	a'	2820.				CH3 s-str.
	a'	1623.				NH2 scis.
	a'	1473.				CH3 d-def.
	a'	1430.				CH3 s-def.
	a'	1130.				CH3 rock.
	a'	1044.				CN str.
	a'	780.				NH2 wag.
	a"	3427.				NH2 a-str.
	a"	2985.				CH3 d-str.
	a"	1485.				CH3 d-def.
	a"	1419.				NH2 twist.
	a"	1195.				CH3 rock.
	a"	268.				torsion
_________________________________________________________________________

Shimanouchi I.
Ohashi, N., Takagi, K., Hougen, J.T., Olson, W.B., Lafferty, W.J. 1987. Far infrared spectrum and ground state constants of methyl amine. J. Mol. Spect. 126, 443-459.
Malghani, M.S., Lees, R, Johns, J.W.C. 1987. Far infrared spectrum of methylamine. Int. J. Infra. 8, 803-825.
Ohashi, N., Takagi, K., Hougen, J.T., Olson, W.B., Lafferty, W.J. 1988. Far infrared spectrum of methyl amine. Assignment and analysis of the first torsional mode. J. Mol. Spect. 132, 242-260.
Kreglewski, M., Winther, F. 1992. High resolution infrared spectrum of methyl amine; assignment and analysis of the wagging state. J. Mol. Spect. 156, 261-291.

Rotational structure:

A = 103 155.8 MHz			A = 0.304 D
B =  22 169.6 MHz
C =  21 291.6 MHz			C = 1.232 D

Takagi, K., Kojima, T. 1973. Laboratory microwave spectrum of methylamine. Astrophys. J. 181, L91‑L93.
Kreglewski, M., Wlodarczak, G. 1992. The rotational spectrum of methylamine in the submillimeter-wave range. J. Mol. Spect. 156, 383-389.
Ohashi, N., Toriyama, Y. 1994. Treatment of tunneling motions in methylamine using the generalized IAM-like method: analysis of the ground vibrational state. J. Mol. Spect. 165, 265-276.

CH5N	CH3NH2	(continued)

Astrophysical detections:

Planetary atmospheres:	
Comets:
Interstellar medium:	radio(rot)
Extragalactic:

Fourikis, N., Takagi, K., Morimoto, M. 1974. Detection of interstellar methylamine by its 202-110 Aa-state transition. Astrophys. J. 191, L139-L141.
Kaifu, N., Morimoto, M., Nagane, K., Akabane, K., Iguchi, T., Takagi, K. 1974. Detection of interstellar methylamine. Astrophys. J. 191, L135-L137.
Kaifu, N., Takagi, K., Kojima, T. 1975. Excitation of interstellar methylamine. Astrophys. J. 198, L85‑L88.

C2	C2	Dicarbide

X1+g, a3u	D∞h

Photodissociation rate:

By quiet Sun at 1 AU:	=1.0 10-6 s-1 (Huebner et al.1992)
Interstellar medium:	 = 1.7 10-10 s-1 (van Dishoeck 1988);  = 1.5 10-10 s-1 (Roberge et al. 1991)

Infrared electronic bands:
_________________________________________________________________________
band			S	A	g	        
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
A1u-X1+	8268.2 		75 000.		5.9 10-2		Phillips
B'1+g-A1u	6928. 
b3-g- a3u	5632.7		62 000.	1.1 10-1	Ballik-Ramsay 
B1g-A1u	3590. 
_________________________________________________________________________

Huber and Herzberg 1979.
Cooper, D.M., Nicholls, R.W. 1975. Measurements of the electronic transition moments of C2-band systems. J. Quant. Spect. Rad. Trans. 15, 139-150.
Chababowski, C.F., Peyerimhoff, S.D., Buenker, R.J. 1983. The Ballik-Ramsey, Muliken, Deslandres-d'Azambuja and Phillips bands of C2: a theoretical study of their electronic transition moments. Chem. Phys. 81, 57-72.
Bauer, W., Becker, K.H., Hubrich, C., Meuser, R., Wildt, S. 1985. Radiative lifetime measurement of the C2 (A1u) state. Astrophys. J. 296, 758-764.
Douay, M., Nietmann, R., Bernath, P.F. 1988. New observations of the A1u-X1+g transition (Phillips system) of C2. J. Mol. Spect. 131, 250-260.
Douay, M., Nietmann, R., Bernath, P.F. 1988. The discovery of two new infrared electronic transitions of C2: B1g-A1u and B'1+g-A1u. J. Mol. Spect. 131, 261-271.

Vibrational bands:
_________________________________________________________________________
band			S	A	g	mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
		1828.0	na			X1+
		1618.0	na			a3u
_________________________________________________________________________

Huber and Herzberg 1979.

Rotational structure: linear, non polar.

B = MHz				 = 0

Astrophysical detections:

Planetary atmospheres:	
Comets:	UV (electronic D1+u-X1+g)
		visible (electronic d3g-a3u Swann bands)
		near-IR (electronic A1u-X1+g)
Interstellar medium:	visible (electronic), near-IR (electronic, diffuse clouds)
Extragalactic:

Huggins, W. 1882. Preliminary notes on the photographic spectrum of comet 1881b. Proc. Roy. Soc. 33, 1.

C2Mg	MgC2	

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
						str.
						bend.
						str.
_________________________________________________________________________

Rotational structure: 

A = MHz		A = D
B = MHz		B = D
C = MHz		C = D

Astrophysical detections: none.

C2N	C2N	

2	C∞v

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
		1923.2				CN str.
		324. 				bend.
	+	1050.8				CC str.
_________________________________________________________________________

Jacox 1990.
Fehér, M., Salud, C., Maier, J.P. 1991. The infrared laser spectrum of the 1 band of CCN. J. Mol. Spect. 145, 246-250.
Fehér, M., Salud, C., Maier, J.P., Merer, A.J. 1991. On the J-assignment of the infrared laser spectrum  of CCN. J. Mol. Spect. 150, 280-281.

Rotational structure: linear.

B = 11 938.6 MHz			 = (0.6) D

Yamashita, K., Morokuma, K. 1987. Ab initio calculations of the dipole moments in low-lying electronic states of the CCN radical. Chem. Phys. Lett. 140, 345-348.
Ohshima, Y., Endo, Y. 1995. Fourier-transform microwave spectroscopy of CCN (X 21/2). J. Mol. Spect. 172, 225-232.

Astrophysical detections: none.

C2N2	C2N2	Dicyanogen

1+g	D∞h

Photodissociation rate:

By quiet Sun at 1 AU:	    = 3.0810-5 s-1 (Bockelée-Morvan, D., Crovisier, J. 1985. Possible parents for the cometary CN radical: photochemistry and excitation conditions. Astron. Astrophys. 151, 90)

Vibrational bands:
_________________________________________________________________________
band			S	A	g	mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	+g	2330.5	na			CN s-str.
	+g	845.5	na			NN a-str.
	+u	2157.8	20.	2.9 	2.2 10-5	CN a-str.
	g	502.8	na			CCN bend
	u	233.9	162.	0.27	2.5 10-5	CCN bend
_________________________________________________________________________

Shimanouchi II.
Smith et al. 1992.
GEISA  (3, 5, others).
Kim; K., King, W.T. 1984. Integrated infrared intensities in cyanogen. J. Chem. Phys. 80, 974-977
Grecu, J.C., Winnewisser, B.P. Winnewisser, M. 1993. High-resolution Fourier-transform infrared spectrum of the 5 fundamental band system of cyanogen, NCCN. J. Mol. Spect. 159, 534-550.
Grecu, J.C., Winnewisser, B.P. Winnewisser, M. 1993. Absolute rovibrational line intensities in the 5 band system of cyanogen, NCCN. J. Mol. Spect. 159, 551-571. (0.18 or 0.25 D.)

Rotational structure: linear, non-polar.

B = 4 710.3 MHz			 = 0

Maki. 1965. J. Chem. Phys. 43, 3193

Astrophysical detections:

Planetary atmospheres:	IR (rovib., Titan)
Comets:
Interstellar medium:	
Extragalactic:

Kunde, V.G., Aikin, A.C., Hanel, R.A., Jennings, D.E. Maguire, W.C., Samuelson, R.E. 1981. C4H2, HC3N and C2N2 in Titan's atmosphere. Nature 292, 686-688.

C2O	C2O	Dicarbon Monoxide

3-	C∞v

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
		1970.9				CO str.
		379.4				bend.
	+	1063. 				CC str.
_________________________________________________________________________

Jacox 1988.
Yamada, C., Kanamori, H., Horiguchi, H., Tsuchiya, S., Hirota, E. 1986. Infrared diode laser kinetic spectroscopy of the CCO radical in the X3- state generated by the excimer laser photolysis of carbon suboxide. J. Chem. Phys. 84, 2573-2575.

Rotational structure: linear.

B = 11 545.6 MHz			 = (1.3) D

Poynter & Pickett. 40006
Thomson, C., Wishart, B.J. 1973. Theoret. Chem. Acta 31, 347. (Dipole moment.)
Yamada, C., Saito, S., Kanamori, H., Hirota, E. 1985. Millimeter-wave spectrum of the CCO radical. Astrophys. J. 290, L65-L66.

Astrophysical detections:

Planetary atmospheres:	
Comets:
Interstellar medium:	radio (rot.)
Extragalactic:

Ohishi., M., Suzuki, H., Ishikawa, S., Yamada, C., Kanamori, H., Irvine, W., Brown, R.D., Godfrey, P.D., Kaifu, N. 1991. Detection of a new carbon-chain molecule, CCO. Astrophys. J. L. 380, L39-L42.

C2S	C2S	C2S Radical

-	C∞v

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
		(917.)	(57.)	1.5 	3.1 10-5	CS str.
		(337.)	(8.)	0.03	1.8 10-6	bend.
		(1728.)	(880.)	80.  	8.1 10-4	CC str.
_________________________________________________________________________

Murakami, A. 1990. A quantum chemical study of the linear C2S and C3S molecules. Astrophys. J. 357, 288-290.  (ab initio.)
Xie, Y., Schaefer III, H.F. 1992. Naked organosulfur clusters: the infrared spectrum of the C2S molecule. J. Chem. Phys. 96, 3714-3717. (ab initio.)

Rotational structure: linear.

B =  6 477.8 MHz			 = (2.9) D

Cologne 56502
Yamamoto, S., Saito, S., Kawaguchi, K., Chikada, Y., Suzuki, H., Kaifu, N., Ishikawa, S., Ohishi, M. 1990. Rotational spectrum of the CCS radical studied by laboratory microwave spectroscopy and radio-astronomical observations. Astrophys. J. 361, 318-324.

Astrophysical detections:

Planetary atmospheres:	
Comets:
Interstellar medium:	radio (rot.)
Extragalactic:

Cernicharo, J., Guélin, M., Hein, H., Kahane, C. 1987. Sulfur in IRC+10216. Astron. Astrophys. 181, L9-L12.
Saito, S., Kawaguchi, K., Yamamoto, S., Ohishi, M., Suzuki, H., Kaifu, N. 1987. Laboratory detection and astronomical identification of a new free radical, CCS (3-). Astrophys. J. 317, L115-L119.

C2Si	c-SiC2	Silicon Dicarbide

1A1	C2v

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	a1	1742. 				CC str.
	a1	837. 				CSi s-str.
	b2	196.4				CSi a-str.
_________________________________________________________________________

Jacox 1990.
Presilla-Marquez, J.D., Graham, W.R, Shepherd, R.A. 1990. Fourier transform far-infrared spectroscopy of the "3 vibration of SiC2 in Ar at 10 K. J. Chem. Phys. 93, 5424-5428.
Buttenhoff, T.J., Rohlfing, E.A. 1991. Laser-induced fluorescence spectroscopy of jet-cooled SiC2. J. Chem. Phys. 95, 1-8.
Ross, S.C., Butenhoff, T.J., Rohlfing, E.A., McMichael Rohlfing, C. 1994. SiC2: a molecular pinwheel. J. Chem. Phys. 100, 4110-4126.

Rotational structure:

A = 52 473.7 MHz			A = 2.393 D (Poynter & Pickett assume 3.2 D.)
B = 13 158.7 MHz
C = 10 441.6 MHz

Poynter & Pickett. 52007
Suenram, R.D., Lovas, F.J., Matsumura, K. 1989. Laboratory measurement of the 101-000 transition and electric dipole moment of SiC2. Astrophys. J. 342, L103-L105.
Gottlieb, C.A., Vrtilek, J, Thaddeus, P. 1989. Laboratory measurement of the rotational spectrum of SiCC. Astrophys. J. 343, L29-L32.
Chandra, S., Rashmi 1998. Einstein A-coefficients for rotational transitions in the ground vibrational state of SiC2. Astron. Astrophys. Suppl. 131, 137-139.

Astrophysical detections:

Planetary atmospheres:	
Comets:
Interstellar medium:	circumstellar envelopes, radio (rot.)
Extragalactic:

Thaddeus, P., Cummins, S.E., Linke, R.A. 1984. Identification of the SiCC radical toward IRC+10216: the first molecular ring in an astronomical source. Astrophys. J. 283, L45-L48.

C2H	C2H	Ethynyl Radical

2+	C∞v

Photodissociation rate:

Interstellar medium:	 = 3.4 10-10 s-1 (van Dishoeck 1988)

Infrared electronic bands:
_________________________________________________________________________
band			S	A	g	        
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
A2-X2+	               3692, 3773, 3785, 4011, 4106...  						
_________________________________________________________________________

Carrick, P.G., Merer, A.J., Curl, Jr., R.F. 1983. A2-X2+ infrared electronic transition of C2H. J. Chem. Phys. 78, 3652-3658.
Reimers, J.R., Wilson, K.R., Heller, E.J., Langhoff, S.R. 1985. CASSCF-wave packet ab initio prediction of electronic and vibrational spectra: application to the A(2)-X(2+) absorption of C2H at 3000 K. J. Chem. Phys. 82, 5064-5077. (Predicts  = 0.55 D for the electronic transition, corresponding to Aij = 5000 s-1 and g = 0.15 s-1.)
Curl, R.F., Carrick, P.G., Merer, A.J. 1985. Rotational analysis of the A-X system of C2H. J. Chem. Phys. 82, 3479-3486.
Vervloet, M., Herman, M. 1988. Fourier transform emission spectroscopy of C2H. Chem. Phys. Let. 144, 48.
Kanamori, H., Hirota, E. 1988. Vibronic bands of the CCH radical observed by infrared diode laser kinetic spectroscopy. J. Chem. Phys. 88, 3962-3969.
Fletcher, T.R., Leone, S.R. 1989. Photodissociation dynamics of C2H2 at 193 nm: Vibrational distributions of the CCH radical and the rotational state distribution of the A(010) state by time-resolved Fourier-transform infrared emission. J. Chem. Phys. 90, 871-879.

Vibrational bands:
_________________________________________________________________________
band			S	A	g	mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
		(3612.)				CH str.
		371.6				bend.
		1840.6				CC str.
_________________________________________________________________________

Jacox 1990.
Kanamori, H., Seki, K., Hirota, E. 1987. Infrared diode laser kinetic spectroscopy of the CCH radical 3 band. J. Chem. Phys. 87, 73-76.
Hsu, Y.-C., Lin, J.Jr-M., Papousek, D., Tsai, J.J. 1993. The low-lying bending vibrational levels of the CCH (X2+) radical studied by laser-induced fluorescence. J. Chem. Phys. 98, 6690-6696.

Rotational structure: linear.

B = 43 674.5 MHz			 = (0.77) D

Poynter & Pickett. 25001
Cologne 25501
Lovas 1978.
Lovas and Suenram 1989.

C2H	C2H	(continued)

Shih, S. Peyerimhoff, S.D., Bueznker, R.J. 1977. Theoretical prediction of the vertical electronic spectrum of the C2H radical. J. Mol. Spect. 64, 167-179.
Gotlieb, C.A., Gottlieb, E.W., Thaddeus, P. 1983. Laboratory and astronomical measurement of the milimeter wave spectrum of the ethynyl radical CCH. Astrophys. J. 264, 740-745.
Pauzat, F., Ellinger, Y., McLean, A.D. 1991. Is interstellar detection of higher members of the linear radicals CnCN and CnN feasible? Astrophys. J. 369, L13-L16. (dipole moment = 0.73 D)
Müller, H.S.P., Klaus, T., Winnewisser, G. 2000. Submillimeter-wave spectrum of the ethynyl radical CCH, up to 1 THz. Astron. Astrophys. 357, L65-L67.

Astrophysical detections:

Planetary atmospheres:	
Comets:
Interstellar medium:	radio (rot.), IR (electron.)
Extragalactic:	radio (rot.)

Tucker, K.D., Kutner, M.L., Thaddeus, P. 1974. The ethynyl radical C2H - a new interstellar molecule. Astrophys. J. 193, L115-L119.
Keady, J.J., Hinkle, K.H. 1988. C2H in the 2 micron infrared spectrum of IRC+10216. Astrophys. J. 331, 539-546.
Henkel, C., Mauersberger, R., Schilke, P. 1988. Molecules in external galaxies: the detection of CN, C2H, and HNC, and the tentative detection of HC3N. Astron. Astrophys. 201, L23-L26.

C2HMg	MgCCH	Magnesium Acetylide	

2	C∞v

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
		
		
		
	
_________________________________________________________________________

Rotational structure: linear.

B = 4 965.3 MHz				 =  (1.36) D (Poynter & Pickett assume 1 D)

Poynter & Pickett. 49004
Cologne 49507
Anderson, M.A., Ziurys, L.M. 1995. Laboratory detecion and millimeter spectrum of the MgCCH radical. Astrophys. J. 439, L25-L28.
Brewster, M.A., Apponi, A.J., Xin, J., Ziurys, L.M. 1999. Millimeter-wave spectroscopy of vibrationally-excited NaCCH and MgCCH: the 5 bending mode. Chem. Phys. Lett. 310, 411-422. 

Astrophysical detections:  none

C2HN	HCCN	

3-	C∞v

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	+	3229.				CH str.
	+	1735.				CCN a-str.
	+	1178.				CCN s-str.
		458.				H def.
_________________________________________________________________________

Jacox 1988

Rotational structure: linear.

B = 10 986.4 MHz			 = D

Cologne 39501
Saito, S., Endo, Y., Hirota, E. 1984. The microwave spectrum of a triplet carbene: HCCN in the X3- state. J. Chem. Phys. 80, 1427-1430.
Brown, F.X., Saito, S., Yamamoto, S. 1990. J. Mol. Spect. 143, 203.
Endo, Y., Ohshima, Y. 1993. Fourier-transform microwave spectroscopy of the HCCN radical. Determination of the hyperfine coupling constants. J. Chem. Phys. 98, 6618-6623.
Allen, M.D., Evenson, K.M., Brown, J.M. 2001. High-resolution spectroscopic measurments  of the 5 bending bigration-rotation band of HCCN in its X3- state at 129 cm-1. J. Mol. Spect. 209, 143-164.

Astrophysical detections:

Planetary atmospheres:	
Comets:	
Interstellar medium:	radio (rot.)
Extragalactic:

Guélin, M., Cernicharo, J. 1991. Astronomical detection of the HCCN radical. Toward a new family of carbon-chain molecules ? Astron. Astrophys.  244, L21-L24.

C2HNa	NaCCH	Sodium Acetylide

1	C∞v

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
		
		
	
	
_________________________________________________________________________

Rotational structure:  linear

B = 4510.& MHz		 = (8.2) D

Cologne 48505
Li, B.Z., Ziurys, L.M. 1997. Laboratory detection and submillimeter spectrum of NaCCH (X1). Astrophys. J. 482, L215-L217.
Brewster, M.A., Apponi, A.J., Xin, J., Ziurys, L.M. 1999. Millimeter-wave spectroscopy of vibrationally-excited NaCCH and MgCCH: the 5 bending mode. Chem. Phys. Lett. 310, 411-422.

Astrophysical detections: none.

C2HSi	HSiC2	

2	C∞v

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
			
			
			
			
			
_________________________________________________________________________

Rotational structure: linear

B = 5 966.8 MHz			 = D

Astrophysical detections:

Planetary atmospheres:	
Comets:
Interstellar medium:	radio (rot.tentative detection)
Extragalactic:

Guélin, M., Cernicharo, J., Kahane, C., Gomez-Gonzalez, J. 1986. A new free radical in IRC+10216. Astron. Astrophys. 157, L17-L20. (Tentative assignation; could also be HC2Si.)

C2HSi	SiCCH	

2	C∞v

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
			
			
			
			
			
_________________________________________________________________________

Rotational structure: linear

B = 5 436.7 MHz			 = (1.4) D

Apponi, A.J., McCarthy, M.C., Gottlieb, C.A., Thaddeus, P. 2000. The radio spectra of SiCCH, SiCN, and SiNC. Astrophys. J. 536, L55-L58.

Astrophysical detections: none

C2H2	CHCH	Acetylene

1+g	D∞h

Photodissociation rate:

By quiet Sun at 1 AU:	= 1.4 10-5 s-1 (Huebner et al. 1992)
Interstellar medium:	 = 2.1 10-9 s-1 (van Dishoeck 1988);  = 7.8 10-9 s-1 (Roberge et al. 1991)

Vibrational bands:
_________________________________________________________________________
band		a)	S	A	g	mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	g	3372.5	na			CH str.
	g	1973.5	na			CC str.
	u	3294.8	117.	39.	1.7 10-4	CH str.
	g	611.7	na			CH bend
	u	729.1	630.	10.	2.8 10-4	CH bend
_________________________________________________________________________

GEISA (3, 5, others).
Smith et al. 1985, 1992.
Guelachvili and Rao II.
Rinsland, C.P., Baldacci, A., Rao, K.N. 1982. Acetylene bands observed in carbon stars: a laboratory study and an illustrative example of its application to IRC+10216. Astrophys. J. Suppl. 49, 487-513.
Lafferty, W.J., Pine, A.S. 1990. Spectroscopic constants for the 2.5 and 3.0 m bands of acetylene. J. Mol. Spect. 141, 223-230.
Vander Auwera, J., Hurtmans, D., Carleer, M., Herman, M. 1993. The 3 fundamental in C2H2. J. Mol. Spect. 157, 337-357.
Mandin, J.-Y., Dana, V., Claveau, C. 2000. Line intensities in the 5 band of acetylene 13C2H2. J. Quant. Spect. Rad. Trans. 67, 429-446.

Rotational structure: linear, non-polar.

B = 35 273.6 MHz			 = 0

Lovas and Suenram 1989.

Astrophysical detections:

Planetary atmospheres:	IR (rovib. outer planets, Titan)
Comets:	IR (rovib.)
Interstellar medium:	circumstellar envelopes, interstellar clouds IR (rovib.)
Extragalactic:

Ridgway, S.T., Carbon, D.F., Hall, D.N.B. 1978. Polyatomic species contributing to the carbon-star 3 micron band. Astrophys. J. 225, 138-147.
Lacy, J.H., Evans II, N.J., Achtermann, J, Bruce, D.E., Arens, J.F., Carr, J.S. 1989. Discovery of interstellar acetylene. Astrophys. J. 342, L43-L46.
Hanel, R., Conrath, B., Flasar, F, Kunde, V., Maguire, W., Perl, J., Pirraglia, J., Samuelson, R., Herath, L. 1981. Infrared observations of the Saturnian system from Voyager 1. Science 212, 192-200.
Brooke, T.Y., Tokunaga, A.T., Weaver, H.A., Crovisier, J., Bockelée-Morvan, D., Crisp, D. 1996. Detection of acetylene in the infrared spectrum of comet Hyakutake. Nature 383, 606-608.

C2H2N	CH2CN	Cyanomethyl Radical

2B1	C2v

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	a1		
	a1		
	a1		
	a1		
	b1	663.8				H2CC OPLA
	b1		
	b2		
	b2		
	b2		
_________________________________________________________________________

Jacox 1990.
Sumiyoshi, Y., Tanaka, K., Tanka, T. 1996. Time-resolved infrared diode laser spectroscopy of the 5 band of the cyanomethyl radical (H2CCN). J. Chem. Phys. 104, 1839-1845.

Rotational structure:

A = 285 752. MHz			A = D
B = 10 246.5 MHz			B = D
C =  9 876.2 MHz			C = D

Saito, S., Yamamoto, S., Irvine, W, Ziurys, L, Suziki, H., Ohishi, M., Kaifu, N. 1988. Laboratory detection of a new interstellar free radical CH2CN (2B1). Astrophys. J. 334, L113-L116.

Astrophysical detections:

Planetary atmospheres:	
Comets:
Interstellar medium:	radio (rot.)
Extragalactic:

Irvine, W, Friberg, P., Hjalmarson, A., Ishikawa, S., Kaifu, N., Kawaguchi, K., Madden, S.C., Matthews, H.E., Ohishi, M., Suzuki, H., Thaddeus, P., Turner, B.E., Yamamoto, S., Ziuris, L 1988. Identification of the interstellar cyanomethyl radical (CH2CN) in the molecular clouds TMC-1 and Sagitarius B2. Astrophys. J. 334, L107-L111.
Turner, B.E., Friberg, P., Irvine, W, Saito, S., Yamamoto, S. 1990. Interstellar cyanomethane. Astrophys. J. 355, 546-561.

C2H2O	H2CCO	Ketene

1A1	C2v

Photodissociation rate:

By quiet Sun at 1 AU: = 1.8 10-5 s-1 (Crovisier, J.1994. Photodestruction rates for cometary parent molecules. J. Geoph. Res. Planets 99, 3777-3781)
Interstellar medium:	 = 2.1 10-9 s-1 (Roberge et al. 1991)

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	a1	3070.4	
	a1	2151.8	
	a1	1388. 	
	a1	1117.8	
	b1	587.4	
	b1	526.9	
	b2	3166.1	
	b2	977.8	
	b2	439.0	
_________________________________________________________________________

Herzberg III.
Nemes, L. 1978. Rotation-vibration analysis of the Coriolis-coupled 5, 6, 8, and 9 bands of H2CCO. J. Mol. Spect. 72, 102-123.
Escribano, R., Doménech, J.L., Cancio, P., Ortigoso, J., Santo, J., Bermejo, D. 1994. The 1 band of ketene. J. Chem. Phys. 101, 937-945.

Rotational structure:

A = 282 101.2  MHz			A = 1.422 D
B =  10 293.3 MHz
C =   9 915.9 MHz

Poynter & Pickett. 42002
Cologne 42501
Brown, R.D., Godfrey, P.D., McNaughton, D., Pierlot, A.P., Taylor, W.H. 1990. Microwave spectrum of ketene. J. Mol. Spect. 140, 340-352.
Johns, J.W.C., Nemes, L., Yamada, K.M., Wang, T.Y., Doménech, J.L., Santos, J., Cancio, P., Bermejo, D., Ortigoso, J., Escribano, R. 1992. The ground state constants of ketene. J. Mol. Spect. 156, 501-503.

Astrophysical detections:

Planetary atmospheres:	
Comets:
Interstellar medium:	radio (rot.)
Extragalactic:

Turner, B.E. 1977. Microwave detection of interstellar ketene. Astrophys. J. 213, L75-L79.

C2H2S	H2C2S	Thioketene

1A1	C2v

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	a1	3020.				CH2 s-str.
	a1	1757.				C=C str.
	a1	1331.				CH2 scis.
	a1	850.				C=S str.
	b1	692.				H2C=C OPLA
	b1	404.				CCS bend.
	b2	3107.				CH2 a-str.
	b2	922.				CH2 rock.
	b2	956.				CCS bend.
_________________________________________________________________________

Jacox 1988.

Rotational structure: 

A = 286 655.  MHz			A = 1.01 D
B =   5 659.5 MHz
C =   5 544.5 MHz

Winnewisser, M., Schäfer, E. 1980. Millimeter wave rotational spectrum and centrifugal distorsion of thioketene, H2C=C=S. Z. Naturforschung. 35a, 483-489.

Astrophysical detections:

Planetary atmospheres:	
Comets:
Interstellar medium:	
Extragalactic:

Irvine, W, Friberg, P., Kaifu, N., Kawaguchi, K., Kitamura, Y., Matthews, H.E., Minh, Y., Saito, S., Ukita, N., Yamamoto, S. 1989. Observations of some oxygen-containing and sulfur-containing organic molecules in cold dark clouds. Astrophys. J. 342, 871-875. (Upper limit for H2C2S.)

C2H3	CH2CH	Vinyl Radical

	Cs (rapid tunelling, giving effective C2 symmetry)

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
		
		
		
		
		
		
	a"	895.2				mixed OPLA
		
		
_________________________________________________________________________

Jacox 1990.
Kanamori, H., Endo, Y., Hirota, E. 1990. The vinyl radical investigated by infrared diode laser kinetic spectroscopy. J. Chem. Phys. 92, 197-205.

Rotational structure: 

A = 7.913 cm-1	A = D
B = 1.083 cm-1	B = D
C = 0.949 cm-1	C = D

Astrophysical detections: none.

C2H3+	C2H3+	Protonated Acetylene

	C2v	(bridged structure)

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	
		
		
	
		
	a+lu	3142.2				CH a-str.
	
		
		
_________________________________________________________________________

Jacox 1990.
Crofton, M.W., Jagod, M.F., Rehfuss, B.D., Oka, T. 1989. Infrared spectroscopy of carbo-ions. V. Classical vs nonclasical structure of protonated acetylene C2H3+. J. Chem. Phys. 91, 5139-5153.

Rotational structure: 

A =  399 955.98 MHz
B =  34 237.54 MHz 			B = D
C =  31 371.76 MHz

Bogey, M., Cordonnier, M., Demuynck, C., Destombes, J.L. 1992. Laboratory measurements of the millimeter and submillimeter wave spectrum of C2H3+. Astrophys. J. 399, L103-L105.
Glassgold, A.E., Omont, A., Guélin, M. 1992. Protonated acetylene: an important circumstellar and interstellar ion.  Astrophys. J. 396, 115-119.

Astrophysical detections: none.

C2H3N	CH3CN	Methyl Cyanide
		Acetonitrile

1A1	C3v

Photodissociation rate 

By quiet Sun at 1 AU:	= 6.6810-6 s-1 (Bockelée-Morvan, D., Crovisier, J. 1985. Possible parents for the cometary CN radical: photochemistry and excitation conditions. Astron. Astrophys. 151, 90)
Interstellar medium:	  = 1.6 10-9 s-1 (van Dishoeck 1988);  = 2.410-9 s-1 (Roberge et al. 1991)

Vibrational bands:
_________________________________________________________________________
band		s	S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	a1	2954. 	8.0	3.1	1.5 10-5	CH3 s-str.
	a1	2268. 	4.7	1.1	7.3 10-6	CN str.
	a1	1389. 				CH3 s-def.
	a1	920.3	5.7	0.21	3.8 10-6	CC str.
	e	3009. 	5.0	1.0	9.8 10-6	CH3 d-str.
	e	1453. 	115.	5.3	1.2 10-4	CH3 d-def.
	e	1041.9	21.	0.50	1.6 10-5	CH3 rock.
	e	365.0	4.5	0.016	1.2 10-6	CCN bend.
_________________________________________________________________________

Shimanouchi I.
Cerceau, F., Raulin, F., Courtin, R., Gautier, D. 1985. Infrared spectra of gaseous mononitriles: application to the atmosphere of Titan. Icarus 62, 207-220.
Koivusaari, M., Horneman, V.-M., Anttila, R. 1992. High-resolution study of the infrared band 8 of CH3CN. J. Mol. Spect. 152, 377-388.
Tolunen, A.-M., Koivusaari, M., Paso, R., Schroderus, J., Alanko, S., Anttila, R. 1993. The infrared spectrum of methyl cyanide between 850 and 1150 cm-1: analysis of the 4, 7, and 381 bands with resonances. J. Mol. Spect. 160, 554-565.

Rotational structure: prolate symmetric top.

A = 157 300 MHz			A = 3.913 D
B = C = 9 198.99 MHz

Poynter & Pickett. 41001
Boucher, D., Burie, J., Bauer, A., Dubrulle, A., Demaison, J. 1980. Microwave spectra of molecules of astrophysical interest. XIX. Methyl cyanide. J. Phys. Chem. Ref. Data. 9, 659-719.
Brown, F.X., Dangoisse, D., Demaison, J. 1988. The rotational spectrum of CH3CN above 1000 GHz. J. Mol. Spect. 129, 483-485.
Carlotti, M., DiLonardo, G., Fusina, L. 1988. The far infrared spectrum of methyl cyanide, CH3CN. J. Mol. Spect. 129, 314-325. (7-60 cm-1 region.)
Pavone, F.S., Zink, L.R., Prevedelli, M., Inguscio, M. 1990. Tunable FIR spectroscopy of CH3CN between 569 GHz and 1.48 THz. J. Mol. Spect. 144, 45-50.

C2H3N	CH3CN	(continued)

Astrophysical detections:

Planetary atmospheres:	radio (rot. Titan)
Comets:	radio (rot.)
Interstellar medium:	radio (rot.)
Extragalactic:

Solomon, P, Jeffert, B., Penzias, A.A., Wilson, R.N. 1971. Detection of millimeter emission lines from interstellar methyl cyanide. Astrophys. J. 168, L107-L110.
Bézard, B., Marten, A., Paubert, G. 1992. Saturn IV (Titan). IAU Circ. No 5685.
Dutrey, A., Despois, D., Bockelée-Morvan, D., Colom, P., Biver, N., Crovisier, J., Gérard, E., Rauer, H., Grewing, M., Guilloteau, S., Lucas, R., Neri, R., Wink, J. 1996 Comet C/1996 B2 (Hyakutake). IAU Circ. No 6364

C2H3N	CH3NC	Methyl Isocyanide

1A1	C3v

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	a1	2965.7	64.	with 5	8.6 10-5	CH3 s-str.
	a1	2166. 	462.	125.	6.2 10-4	NC str.
	a1	1429. 	78.	with 6	1.0 10-4	CH3 s-def.
	a1	944.9	60.	1.6	3.4 10-5	CN str.
	e	3014.4				CH3 d-str.
	e	1467. 	37.	2.5	3.0 10-5	CH3 d-def.
	e	1130.7				CH3 rock.
	e	267.3				CNC bend.
_________________________________________________________________________

Shimanouchi I.
Chun He, Bernheim, R.A. 1992. High-reslolution spectroscopy of methyl isocyanide: the 4 fundamental and ground state constants. J. Mol. Spect. 155, 365-383.
Chun He, Pliva, J., Faust, C.M., El-Shake, M. Gold, L.P., Bernheim, R.A. 1993. High-resolution infrared spectroscopy and analysis of the methyl group stretching (1) of CH3NC. J. Mol. Spect. 160, 491-501.
Blanquet, G., Walrand, J. Dang-Nhu, M., Krief, A., Bousbaa, J. 1994. Intensities of the 4 band of CH3NC at 10.5 m. J. Mol. Spect. 165, 291-293, erratum 1995,  J. Mol. Spect. 172, 302.
Pliva, J., Le, L.D., Johns, J.W.C., Lu, Z., Bernheim, R.A. 1995. Methyl isocyanide: the low-frequency bands 8 and 7, and a determination of the rotational constant A0. J. Mol. Spect. 173, 423-430.
Khlifi, M., Paillous, P., Bruston, P., Raulin, F., Guillemin, J.C. 1996. Absolute IR band intensities of CH2N2, CH3N3, and CH3NC in the 250-4300 cm region and upper limits of abundance in Titan's stratosphere. Icarus 124arus , 318-328.Blanquet, G., Walrand, J. 1997. Absolute line intensities in the 6.7 m 6 fundamental band of CH3NC. J. Mol. Spect. 184, 464-465.

Rotational structure: prolate symmetric top.

A = 157 200. MHz			A = 3.89 D
B = C = 10 052.8 MHz

Poynter & Pickett. 41009
Landolt-Börnstein 1982.

Astrophysical detections:

Planetary atmospheres:	
Comets:
Interstellar medium:	radio (rot., tentative detection)
Extragalactic:

Cernicharo, J., Kahane, C., Guélin, M., Gomez-Gonzalez, J. 1988. Tentative detection of CH3NC towards Sgr B2. Astron. Astrophys. 189, L1-L2.

C2H3P	CH3CP	Ethylidynephosphine
		1-Phosphapropyne

	C3v

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	a1	2903.3
	a1	1558.7				CP str.
	a1	1366.9
	a1	
	e	2966.0
	e	1437.5				CH3 def.
	e	988.4
	e	302. 
_________________________________________________________________________

Jacox 1990.
Ohno, K., Matsuura, H., McNaughton, D., Kroto, H.W. 1985. Infrared spectra of 1-phosphapropyne CH3CP and its perdeuteride, CH3CP. J. Mol. Spect. 111, 415-424.
Ohno, K., Matsuura, H., McNaughton, D., Kroto, H.W. 1987.  The 2 infrared band of 1-phosphapropyne CH3CP. J. Mol. Spect. 124, 82-91.

Rotational structure: prolate symmetric top.

A =  MHz				A =  1.50 D
B =  C = 4 991.3 MHz

Kroto, H.W., Nixon, J.F., Simmons, N.P.C. 1979. The microwave spectrum of 1-phosphapropyne CH3CP. J. Mol. Spect. 77, 270-285. 

Astrophysical detections: none.

C2H4	CH2CH2	Ethylene

1Ag	D2h

Photodissociation rate:

By quiet Sun at 1 AU:	= 4.8 10-5 s-1 (Huebner et al. 1992)
Interstellar medium:	 = 2.0 10-9 s-1 (van Dishoeck 1988);  = 3.3 10-9 s-1 (Roberge et al. 1991)

Vibrational bands:
_________________________________________________________________________
band			Sa)	A	g	mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	ag	3026. 	na			CH2 s-str.
	ag	1623. 	na			CC str.
	ag	1342. 	na			CH2 scis.
	au	1023. 	na			CH2 twist.
	b1g	3103. 	na			CH2 a-str.
	b1g	1236. 	na			CH2 rock.
	b1u	949.2	324.	9. 	1.8 10-4	CH2 wag.
	b2g	943. 	na			CH2 wag.
	b2u	3105.3	101.	30. 	1.4 10-4	CH2 a-str.
	b2u	826. 	(2.)	(0.06)	1.5 10-6	CH2 rock.
	b3u	2988.6	55.	15. 	7.3 10-5	CH2 s-str.
	b3u	1443.5	40.	2.6	3.2 10-5	CH2 scis.
_________________________________________________________________________

Shimanouchi I.
GEISA (7) give S = 455 for 7.
Guelachvili and Rao I.
Golike, R.G., Mills, I, Person, W.B., Crawford, B. Jr. 1956. Vibrational intensities. VI Ethylene and its deuteroisotopes. J. Chem. Phys. 25, 1266-1275.
Cauuet, I., Walrand, J., Blanquet, G., Valentin, A., Henry, L., Lambeau, C., de Weeschouver, M., Fayt, A. 1990. Extension to third order Coriolis terms of the analysis of 10, 7, and 4 levels of ethylene on the basis of Fourier transform and diode laser spectroscopy. J. Mol. Spect. 139, 191-214.
Tan, T.L., Lau, S.Y., Ong, P.P., Goh, K.L., Teo, H.H. 2000. High-resolution Fourier transform infrared spectrum of the 12 fundamental band of ethylene (C2H4). J. Mol. Spect. 203, 310-313.
Blass, W.E., Hillman, J.J., Fayt, A., Daunt, S.J., Senesac, L.R., Ewing, A.C., Jennings, L.W., Hager, J.S., Mahan, S.L., Reuter, D.C., Sirota, M. 2001. 10 m ethylene: spectroscopy, intensities and a planetary modeler's atlas. J. Quant. Spect. Rad. Trans.  71, 47-60.

Rotational structure: non-polar.

A = 144 740. MHz
B =  30 015. MHz			 = 0
C =  24 829. MHz

Lovas and Suenram 1989.

C2H4	CH4	(continued)

Astrophysical detections:

Planetary atmospheres:	IR (rovib. Jupiter, Titan)
Comets:
Interstellar medium:	IR (rovib.)
Extragalactic:

Hanel, R., Conrath, B., Flasar, F, Kunde, V., Maguire, W., Perl, J., Pirraglia, J., Samuelson, R., Herath, L. 1981. Infrared observations of the Saturnian system from Voyager 1. Science 212, 192-200.
Betz, A.L. 1981. Ethylene in IRC+10216. Astrophys. J. 244, L103-L105.

C2H4O	CH3CHO	Acetaldehyde
		Ethanal

1A'	Cs

Photodissociation rate:

By quiet Sun at 1 AU:	= 5.7 10-5 s-1 (Huebner et al. 1992)
Interstellar medium:	 = 2.7 10-9 s-1 (Roberge et al. 1991)

Vibrational bands:
_________________________________________________________________________
band		s	S	A	g	mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	a'	2967. 	103.	with 11	1.4 10-4	CH3 d-str.
	a'	2917. 				CH3 s-str.
	a'	2804. 	503.	122. 	6.5 10-4	CH str.
	a'	1743. 	648.	61. 	6.0 10-4	CO str.
	a'	1441. 	117.	with 12	9.4 10-5	CH3 d-def.
	a'	1410. 				CH bend.
	a'	1352. 	86.	4.8	6.5 10-5	CH3 s-def.
	a'	1122. 	115.	with 13	7.5 10-5	CC str.
	a'	919. 	21.	0.5	1.1 10-5	CH3 rock.
	a'	509. 	67.	0.5	2.1 10-5	CCO def.
	a"	3024. 				CH3 d-str.
	a"	1441. 				CH3 d-def.
	a"	1104. 				CH3 rock.
	a"	767.1	14.	0.3	7.4 10-6	CH bend.
	a"	150. 				torsion
_________________________________________________________________________

Shimanouchi I.
Rogers J.D. 1985. Infrared intensities of acetaldehyde fundamental bands. J. Quant. Spect. Rad. Transfer 34, 27-32.
Kleiner, I., Herman, M. 1994. The fundamental 14 band of acetaldehyde. J. Mol. Spect. 167, 300-313.

Rotational structure:

A-state		E-state
A = 56 609.5 MHz	56 448.5 MHz			A = 2.516 D
B = 10 162.8 MHz	10 160.1 MHz			B = 1.0 70 D
C =  9 100.4 MHz	 9 101.3 MHz

Poynter & Pickett. 44003 44005
Bauder, A., Lovas, F.J., Johnson, D.R. 1976. Microwave spectra of molecules of astrophysical interest. IX. Acetaldehyde. J. Phys. Chem. Ref. Data. 5, 53-77.
Kleiner, I., Hougen, J.T., Suenram, R.D., Lovas, F.J. 1991. The ground torsional state of acetaldehyde. J. Mol. Spect. 148, 38-49.
Kleiner, I., Hougen, J.T., Suenram, R.D., Lovas, F.J., Godefroid, M. 1992. The ground and first torsional states of acetaldehyde. J. Mol. Spect. 153, 578-586.
Kleiner, I., Lovas, F.J., Godefroid, M. 1996. Microwave spectra of molecules of astrophysical interest. XXIII. Acetaldehyde. J. Phys. Chem. Ref. Data. 25, 1113-1210.

C2H4O	CH3CHO	(continued)

Astrophysical detections:

Planetary atmospheres:	
Comets:
Interstellar medium:	radio (rot.)
Extragalactic:

Gottlieb, C.A. 1973. Detection of acetaldehyde in Sagittarius. In Molecules in the Galactic environment, Edts M.A. Gordon and L.E. Snyder, Wiley-interscience, p.181-191.
Fourikis, N., Sinclair, M.W., Robinson, B.J., Godfrey, P.D., Brown, R.D. 1974. Microwave emission of the 211-212 rotational transition in interstellar acetaldehyde. Aust. J. Phys. 27, 425-430

C2H4O	CH2CHOH	Vinyl Alcohol
		Ethenol

	Cs
This species is unstable in the laboratory.

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	a'	3633.5				OH str.
	a'	3121.7
	a'	
	a'	
	a'	1644.5				C=C str.
	a'	1411.8
	a'	1300.0
	a'	1259.7
	a'	1097.9				CO str. + OH def.
	a'	947.6
	a'	486. 
	a"	972.5
	a"	816.7				H2CC OPLA
	a"	698.9
	a"	413. 				torsion
_________________________________________________________________________

Jacox 1984.
Koga, Y., Nakanaga, T., Sugawara, K., Watanabe, A., Sugie, M., Takeo, H., Kondo, S., Matsumura, C. 1991. Gas phase infrared spectrum of syn-vinyl alcohol produced by thermal decomposition of several alcohols and aldehydes. J. Mol. Spect. 145, 315-322.

Rotational structure: 

A = 59 660.2 MHz			A = 0.616 D
B = 10 561.6 MHz			B = 0.807 D
C =  8 965.8 MHz

(for the lowest energy isomer syn-CH2=CHOH)

Cologne 44506 and 44507
Saito, S. 1976. Microwave spectroscopic detection of vinyl alcohol, CH2=CHOH. Chem. Phys. Lett. 42, 399-402.

Astrophysical detections:

Planetary atmospheres:	
Comets:
Interstellar medium:	radio (rot.)
Extragalactic:

Irvine, W, Friberg, P., Kaifu, N., Kawaguchi, K., Kitamura, Y., Matthews, H.E., Minh, Y., Saito, S., Ukita, N., Yamamoto, S. 1989. Observations of some oxygen-containing and sulfur-containing organic molecules in cold dark clouds. Astrophys. J. 342, 871-875. (Upper limit for CH2CHOH.)
Turner, B.E., Apponi, A.J. 2001. Microwave detection of interstellar vinyl alcohol CH2=CHOH. Astrophys. J. 561, L207-L210.

C2H4O	c-C2H4O	Ethylene Oxide

1A1	C2v

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	a1	3006.				CH2 s-str.
	a1	1498.				CH2 scis
	a1	1271.				ring str.
	a1	1120.				CH2 wag.
	a1	877.				ring def.
	a2	3063.				CH2 a-str.
	a2	1300.				CH2 twist
	a2	860.				CH2 rock.
	b1	3006.				CH2 s-str.
	b1	1472.				CH2 scis
	b1	1151.				CH2 wag.
	b1	892.				ring def.
	b2	3065.				CH2 a-str.
	b2	1142.				CH2 twist
	b2	822.				CH2 rock.
_________________________________________________________________________

Shimanouchi I.

Rotational structure: 

A = 25 483.9 MHz			
B = 22 120.8 MHz			B = 1.88 D
C = 14 097.8 MHz

Cologne 44504
Hirose, C. 1974. Laboratory microwave spectrum of ethylene oxide. Astrophys. J. 189, L145-L146.
Pan, J., Albert, S., Sastry, K.V.L.N., Herbst, E., De Lucia, F.C. 1998. The millimeter-  and submillimeter-wave spectrum of ethylene oxide (c-C2H4O). Astrophys. J. 499, 517-519.

Astrophysical detections:

Planetary atmospheres:	
Comets:
Interstellar medium:	radio (rot.)
Extragalactic:

Dickens, J.E., Irvine, W.M., Ohishi, M., Ikeda, M., Ishikawa, S., Nummelin, A., Hjalmarson, A. 1997. Detection of interstellar ethylene oxide (c-C2H4O) Astrophys. J. 489, 753-757..

C2H4O2	HCOOCH3	Methyl Formate   
		Methyl Methanoate

	Cs

Photodissociation rate:

By quiet Sun at 1 AU: = 4.710-5 s-1 (Crovisier, J.1994. Photodestruction rates for cometary parent molecules. J. Geoph. Res. Planets 99, 3777-3781)

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	a'	3045.				CH3 d-str.
	a'	2969.				CH3 s-str.
	a'	2943.				CH str.
	a'	1754.				C=O str.
	a'	1454.				CH3 d-def.
	a'	1445.				CH3 s-def.
	a'	1371.				CH bend.
	a'	1207.				C-O str.
	a'	1166.				CH3 rock.
	a'	925.				O-CH3 str.
	a'	767.				OCO def.
	a'	318.				COC def.
	a"	3012.				CH3 d-str.
	a"	1443.				CH3 d-def.
	a"	1168.				CH3 rock.
	a"	1032.				CH bend.
	a"	332.				C-O torsion
	a"	130.				CH3 torsion
_________________________________________________________________________

Shimanouchi I.
Chao, J., Hall, K.R., Marsh, K.N., Wilhoit, R.C. 1986. Thermodynamic properties of key oxygen compounds in the carbon range C1 to C4. Part 2. Ideal gas properties. J. Phys. Chem. Ref. Data 15, 1369-1436.

Rotational structure:

A =  17 522.4 MHz			A =  1.63 D
B =   9 323.5 MHz			B =  0.68 D
C =   5 312.7 MHz

Poyntre & Pickett. 60003 60004
Bauder, A. 1979. Microwave spectra of molecules of astrophysical interest. XVI Methyl formate (HCOOCH3).  J. Phys. Chem. Ref. Data 8, 583-618.
Plummer, G, Herbst, E., De Lucia, F.C., Blake, G.A. 1984. The millimeter and submillimeter laboratory spectrum of methyl formate in its ground symmetric torsional state. Astrophys. J. Suppl. Series 55, 633-656.
Plummer, G., Herbst, E., De Lucia, F.C., Blake, G.A. 1986. The laboratory millimeter-wave spectrum of methyl formate in its ground torsional E state. Astrophys. J. Suppl. Series 60, 949-961.
Plummer, G, Herbst, E., De Lucia, F.C. 1987. c-type transitions in methyl formate. Astrophys. J. 318, 873-875.

C2H4O2	HCOOCH3	(continued)

Oesterling, L.C., Albert, S., De Lucia F.C., Sastry, K.V.L.N., Herbst, E. 1999. The millimeter- and submillimeter-wave spectrum of methyl formate (HCOOCH3). Astrophys. J. 521, 255-260.
Kawakara, Y., Oka, K., Odashima, H., Takagi, K., Tsunekawa, S. 2001. The microwave spectrum of methyl formate (HCOOCH3)  in the frequency range from 7 to 200 GHz. J. Mol. Spect. 210, 196-212.

Astrophysical detections:

Planetary atmospheres:	
Comets:	radio (rot.)
Interstellar medium:	radio (rot.)
Extragalactic:

Brown, R.D., Croft, J.G., Gardner, F.F., Godfrey, P.D., Robinson, B.J., Whiteoak, J.B. 1974. Discovery of interstellar methyl formate. Astrophys. J. 197, L29-L31.
Colom, P., Despois, D., Germain, B., Moreno, R., Paubert, G., Biver, N., Bockelée-Morvan, D., Crovisier, J., Gérard, E., Lellouch, E., Rauer, H., Davies, J.K., Dent, W.R.F. 1997. Comet C/1995 O1 (Hale-Bopp) (detection of CH3OCHO at IRAM). IAU Circ. No 6645

C2H4O2	CH3COOH	Acetic Acid

	Cs

Photodissociation rate:

By quiet Sun at 1 AU: = 5.110-5 s-1 (Crovisier, J.1994. Photodestruction rates for cometary parent molecules. J. Geoph. Res. Planets 99, 3777-3781)

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	a'	3583.				OH str.
	a'	3051.				CH3 d-str.
	a'	2944.				CH3 s-str.
	a'	1788.				C=O str.
	a'	1430.				CH3 d-def.
	a'	1382.				CH3 s-def.
	a'	1264.				OH bend.
	a'	1182.				C-O str.
	a'	989.				CH3 rock.
	a'	847.				C-C str.
	a'	657.				OCO def.
	a'	581.				CCO def.
	a"	2996.				CH3 d-str.
	a"	1430.				CH3 d-def.
	a"	1048.				CH3 rock.
	a"	642.				C=O op-bend.
	a"	534.				C-O torsion
	a"	93.				CH3 torsion
_________________________________________________________________________

Shimanouchi I.

Rotational structure:

A =  11 335.6 MHz			A =  0.86 D
B =   9 478.7 MHz			B =  1.47 D
C =   5 325.0 MHz

Wlodarczak, G. Demaison, J. 1988. Acetic acid, CH3COOH: astrophysical predictions. Astron. Astrophys. 192, 313-315.
Ilyushin, V.V., Alekseev, E.A., Dyubko, S.F., Podnos, S.V., Kleiner, I., Margulès, L., Wlodarczak, G. Demaison, J., Cosléou, J., Maté, B., Karyakin, E.N., Yu, G., Golubiatnikov, G.Y., Fraser, G.T., Suenram, R.D., Hougen, J.T. 2001. The ground and first excited torsional states of acetic acid. J. Mol. Spect. 205, 286-303.

C2H4O2	CH3COOH	(continued)

Astrophysical detections:

Planetary atmospheres:	
Comets:
Interstellar medium:	radio (rot.)
Extragalactic:

Wootten, A., Wlodarczak, G., Mangum, J.G., Combes, F., Encrenaz, P.J., Gerin, M. 1992. Search for acetic acid in interstellar clouds. Astron. Astrophys. 257, 740-744. (Upper limit.)
Mehringer, D.M., Snyder, L.E., Miao, Y., Lovas, F.J. 1997. Detection and confirmation of interstellar acetic acid. Astrophys. J. 480, L71-L74.

C2H4O2	CH2OHCHO	Glycolaldehyde
		Hydroxyethanal

	Cs

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________

_________________________________________________________________________

Rotational structure:

A = 18 446.4 MHz			A =  0.26 D
B =  6 526.1 MHz			B =  2.33 D
C =  4 969.3 MHz

Cologne 60501
Marstokk, K.-M., Mollendal, H. 1970. J. Mol. Struct.5, 205.
Marstokk, K.-M., Mollendal, H. 1973. J. Mol. Struct.16, 259.
Butler, R.A.H., De Lucia, F.C., Petkie, D.T., Mollendal, H., Horn, A., Herbst, E. 2001. The millimeter-  and submillimeter-wave spectrum of glycolaldehyde (CH2OHCHO). Astrophys. J. Suppl. 134, 319-321.

Astrophysical detections:

Planetary atmospheres:	
Comets:
Interstellar medium:	radio (rot.)
Extragalactic:

Hollis, J.M., Lovas, F.J., Jewell, P.R. 2000. Interstellar glycolaldehyde: the first sugar. Astrophys. J. 540, L107-L110.

C2H5NO2	NH2CH2COOH	Glycine

	Cs

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	a
	a	
	a	
	a
.../...	
_________________________________________________________________________

Hu, C.H., Shen, M., Schaefer, H.F. 1993. Glycine conformational analysis. J. Am. Chem. Soc. 115, 2923-2929. (With ab initio frequencies of the 24 vibrational bands of glycine, 5 conformers.)

Rotational structure: 

A = 10 341.5 MHz			A = 0.91 D		conformer I
B =  3 876.2 MHz			B = 0.70 D
C =  2 912.4 MHz

A = 10 130.1 MHz			A = 5.37 D		conformer II
B =  4 071.5 MHz			B = 0.93 D
C =  3 007.5 MHz

Poynter & Pickett. 75002 75003
Landolt-Börnstein 1982.
Lovas, F.J., Kawashima, Y., Grabow, J.U., Suenram, R.D., Fraser, G.T., Hirota, E. 1995. Microwave spectra, hyperfine structure, and electric dipole moments for conformers I and II of glycine. Astrophys. J. 455, L201-L24.
Godfrey, P.D., Brown, R.D. 1995. Shape of glycine. J. Am. Chem. Soc. 117, 2019-2023.

Astrophysical detections:

Planetary atmospheres:	
Comets:
Interstellar medium:	
Extragalactic:

Hollis, J, Snyder, L.E., Suenram, R.D., Lovas, F.J. 1980. A search for the lowest-energy conformer of interstellar glycine. Astrophys. J. 241, 1001-1006.
Snyder, L.E., Hollis, J, Suenram, R.D., Lovas, F.J., Brown, L.W., Buhl, D. 1983. An extensive galactic search for conformer II glycine. Astrophys. J. 268, 123-128.
Combes F., Nguyen-Q-Rieu, Wlodarczak G. 1996. Search for interstellar glycine. Astron. Astrophys. 308, 618-622.

C2H6	CH3CH3	Ethane

1A1g	D3d

Photodissociation rate:

By quiet Sun at 1 AU:	= 1.1 10-5 s-1 (Huebner et al.1992)

Vibrational bands:
_________________________________________________________________________
band		a)	S	A	g	mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	a1g	2953.8	na			CH3 s-str.
	a1g	1388.4	na			CH3 s-str.
	a1g	944.8	na			CC str.
	a1u	289. 				torsion
	a2u	2895.7				CH3 s-str.
	a2u	1379. 				CH3 s-def.
	eg	2969. 	538.	74.	7.2 10-4	CH3 d-str.
	eg	1468. 				CH3 d-def.
	eg	1190. 	na.			CH3 rock.
	eu	2985. 	na.			CH3 d-str.
	eu	1469. 	na.			CH3 d-def.
	eu	822. 	36.1b)	0.37	1.8 10-5	CH3 s-rock.
_________________________________________________________________________

a) Shimanouchi I.
b) GEISA .
ATMOS. (Different numbering for GEISA and ATMOS.)
Moazzen-Ahmadi, N., McKellar, A.R.W., Johns, J.W.C., Ozier, I. 1992. Intensity analysis of the torsional spectrum of CH3CH3. J. Chem. Phys. 97, 3981-3988.
Mélen, F., Herman, M., Matti, G.Y., McNaughton, D.M. 1993. Fourier-transform jet spectrum of the 7 band of C2H6. J. Mol. Spect. 160, 601-603.
Moazzen-Ahmadi, N., Schroderus, J., McKellar, A.R.W. 1999. A combined analysis of the 9 band and the far-infrared torsional spectra of ethane. J. Chem. Phys. 111, 9609-9617.
Moazzen-Ahmadi, N., Kelly, E., Schroderus, J., Horneman, V.-M. 2001. The high-resolution far-infrared torsional spectrum of ethane. J. Mol. Spect. 209, 228-232.

Rotational structure: prolate symmetric top, non-polar.

A = 80 374. MHz			 = 0
B = C = 19 849 MHz

Lovas and Suenram 1989.

Astrophysical detections:

Planetary atmospheres:	IR (rovib. outer planets, Titan)
Comets:	IR (rovib.)
Interstellar medium:
Extragalactic:

Hanel, R., Conrath, B., Flasar, F, Kunde, V., Maguire, W., Perl, J., Pirraglia, J., Samuelson, R., Herath, L. 1981. Infrared observations of the Saturnian system from Voyager 1. Science 212, 192-200.
Mumma, M.J., DiSanti, M.A., Dello Russo, N., Fomenkova, M., Magee-Sauer, K., Kaminski, C.D., Xie, D.X. 1966b. Detection of abundant ethane and methane, along with carbon monoxide and water, in comet C/1996 B2 Hyakutake): evidence for interstellar origin. Science 272, 1310-1314.

C2H6O	CH3CH2OH	Ethanol

	Cs

Photodissociation rate:

By quiet Sun at 1 AU: = 1.810-5 s-1 (Crovisier, J.1994. Photodestruction rates for cometary parent molecules. J. Geoph. Res. Planets 99, 3777-3781)
Interstellar medium:	  = 3.910-9 s-1 (Roberge et al. 1991)

Vibrational bands:
_________________________________________________________________________
band		a)	Sa)	A	g	mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	a'	3660.	66.6	27.5	1.0 10-4
	a'	2971.	293. 	with 14	3.9 10-4
	a'	2901.	353. 	with 4, 15	4.7 10-4
	a'	2890.	
	a'	1482.	150. 	with 6, 7, 8, 16	1.2 10-4
	a'	1450.	
	a'	1393.	
	a'	1393.	
	a'	1241.	89. 	with 17	6.3 10-5
	a'	1061.	430. 	with 11, 18	2.7 10-4
	a'	1027.	
	a'	883.	45. 	1.1	2.4 10-5
	a'	422.	29. 	0.2	7.8 10-6
	a"	2987.	
	a"	2930.	
	a"	1451.	
	a"	1241.	
	a"	1098.	
	a"	801.	4.5	0.1	2.2 10-6
	a"	224.	235. 	with 21	3.4 10-5
	a"	224.			
_________________________________________________________________________

Chao, J., Hall, K.R., Marsh, K.N., Wilhoit, R.C. 1986. Thermodynamic properties of key oxygen compounds in the carbon range C1 to C4. Part 2. Ideal gas properties. J. Phys. Chem. Ref. Data 15, 1369-1436.
a) Rogers, D.J. 1980. Infrared intensities of alcohols and ethers. Ph D dissertation, University of Florida.

Rotational structure:

trans conformer					gauche transformer
A = 34 891.8 MHz	A = 0.046 D			A = 34 194.7 MHz	A = 1.264 D
B =  9 350.7 MHz	B = 1.438 D			B =  9 189.1 MHz	B =  0.104 D
C =  8 135.2 MHz					C =  8 099.4 MHz	C =  1.101 D

Poynter & Pickett. 46004
Lovas, F.J. 1982. Microwave spectra of molecules of astrophysical interest. XXI. Ethanol (C2H5OH) and propionitrile (C2H5CN). J. Phys. Chem. Ref. Data. 11, 251-312.
Pearson, J.C., Sastry, K.V.L.N., Winnewisser, M., Herbst, E., DeLucia, F.C. 1995. The millimeter- and submillimeter-wave spectrum of trans-ethyl alcohol.  J. Phys. Chem. Ref. Data. 24, 1-32.
Pearson, J.C., Sastry, K.V.L.N., Herbst, E., DeLucia, F.C. 1995. The millimeter- and submillimeter-wave spectrum of gauche-ethyl alcohol.  J. Mol. Spect. 175, 246-261.

C2H6O	CH3CH2OH	(continued)

Astrophysical detections:

Planetary atmospheres:	
Comets:
Interstellar medium:	radio (rot.)
Extragalactic:

Zuckerman, B., Turner, B.E., Johnson, D.R., Clark, F.O., Lovas, F.J., Fourikis, N., Palmer, P., Morris, M., Lilley, A.E., Ball, J.A., Gottlieb, C.A., Litvak, M, Penfield, H. 1975. Detection of interstellar trans-ethyl alcohol. Astrophys. J. 196, L99-L102.
Pearson, J.C., Sastry, K.V.L.N., Herbst, E., DeLucia, F.C. 1997. Gauche ethyl alcohol: Laboratory assignments and interstellar identification.  Astrophys. J. 480, 420-431 .

C2H6O	CH3OCH3	Dimethyl Ether

1A1	C2v

Photodissociation rate:

By quiet Sun at 1 AU: = 3.110-5 s-1 (Crovisier, J.1994. Photodestruction rates for cometary parent molecules. J. Geoph. Res. Planets 99, 3777-3781)
Interstellar medium:	 = 2.0 10-9 s-1 (Roberge et al. 1991)

Vibrational bands:
_________________________________________________________________________
band		a)	Sb)	A	g	mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	a1	2996.	191.	with 12	2.6 10-4	CH3 d-str.
	a1	2817.	333.	with 13	4.3 10-4	CH3 s-str.
	a1	1464.	104.	with 4, 14, 15, 19	8.4 10-5	CH3 d-def.
	a1	1452.				CH3 s-def.
	a1	1244.	12.	0.6	8.7 10-6	CH3 rock.
	a1	928.	139.	3.7	7.7 10-5	CO s-str.
	a1	418.	16.	0.1	4.3 10-6	COC def.
	a2	2952.	na			CH3 d-str.
	a2	1464.	na			CH3 d-def.
	a2	1150.	na			CH3 rock.
	a2	203.	na			torsion
	b1	2996.				CH3 d-str.
	b1	2817.				CH3 s-str.
	b1	1464.				CH3 d-def.
	b1	1452.				CH3 s-def.
	b1	1227.	423.	with 20	3.0 10-4	CH3 rock.
	b1	1102.	195.	7.3	1.2 10-4	CO a-str.
	b2	2925.	666.	176. 	8.9 10-4	CH3 d-str.
	b2	1464.				CH3 d-def.
	b2	1179.				CH3 rock.
	b2	242.				torsion
_________________________________________________________________________

a) Shimanouchi I.
Blom, C.E., Altona, C., Oskam, A. 1977. Application of self-consistent-field ab initio calculations to organic molecules. VI. Dimethyleter: general valence force field scaled on experimental frequencies, infra-red and Raman intensities. Mol. Phys. 34, 557-571.
Chao, J., Hall, K.R., Marsh, K.N., Wilhoit, R.C. 1986. Thermodynamic properties of key oxygen compounds in the carbon range C1 to C4. Part 2. Ideal gas properties. J. Phys. Chem. Ref. Data 15, 1369-1436.
b) Rogers, D.J. 1980. Infrared intensities of alcohols and ethers. Ph D dissertation, University of Florida.
Ilieva, S., Galabov, B., Durig, J.R. 1989. Bond polar parameters for dimethyl ether from ab initio MO calculations and experimental infrared intensities. J. Mol. Struct. (Theochem.) 200, 543-553.

Different numbering of the bands exist.

Rotational structure:

A =  38 788.2 MHz	
B =  10 056.5 MHz			B =  1.302 D
C =   8 886.8 MHz

C2H6O	CH3OCH3	(continued)

Poynter & Pickett. 46008
Lovas, F.J., Lutz, H., Dreizleir, H. 1979. Microwave spectra of molecules of astrophysical interest. XVII Dimethyl ether (CH3OCH3). J. Phys. Chem. Ref. Data. 8, 1051-1107.
Neustock, W., Guarnieri, A., Demaison, J., Wlodarczak, G. 1990. The millimeter and-submillimeter-wave spectrum of dimethyl ether. Z. Naturforsch. 45a, 702-706.
Groner, P., Albert, S., Herbst, E., De Lucia, F.C. 1998. Dimethyl ether: laboratory assignments and predictions through 600 GHz. Astrophys. J.  500, 1059-1063.

Astrophysical detections:

Planetary atmospheres:	
Comets:
Interstellar medium:	radio (rot.)
Extragalactic:

Snyder, L.E., Buhl, D., Schwartz, P.R., Clark, F.O., Johnson, D.R., Lovas, D.J., Giguere, P.T. 1974. Radio detection of interstellar dimethyl ether. Astrophys. J. 191, L79-L82.

C3	C3	C3 Radical

1+g	D∞h

Photodissociation rate:

By quiet Sun at 1 AU:  ~10-5 s-1 (Singh P.D., de Almeda A.A., Huebner W.F. 1991. The states of carbon and nitrogen atoms after photodissociationof CN, CH, CH+, C2, C3 and CO in comets. Icarus 90, 74-78)
Interstellar medium:	 = 2.510-9 s-1 (van Dishoeck 1988);  = 3.8 10-9 s-1 (Roberge et al. 1991)

Infrared electronic bands:
_________________________________________________________________________
band			S	A	g	        
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
b3-g- a3u	6482.4	
_________________________________________________________________________

Sasada, H., Amano, T., Jarman, C., Bernath, P.F. 1991. A new triplet band system of C3: the b3‑g‑a3u transition. J. Chem. Phys. 94, 2401-2407.
Tokaryk, D.W., Civis, S. 1995. Infrared emission spectra of C3: the Renner effect in the a3u and b3-g electronic states. J. Chem. Phys. 103, 3928-3941.

Vibrational bands:
_________________________________________________________________________
band			S	A	g	mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	+g	1224.5	na			s-str.
	u	63.4		(0.003)	9.8 10-7	bend.
	+u	2040.0		(514.)	4.1 10-3	a-str.
_________________________________________________________________________

Jacox 1990.
Matsumura, K., Kanamori, H., Kawaguchi, K., Hirota, E. 1988. Infrared diode laser kinetic spectroscopy of the 3 band of C3. J. Chem. Phys. 89, 3491-3494.
Jorgensen, U.G., Almlöf, J., Siegbahn, P.E 1989. Complete active self-consistent field calculations of the vibrational band strengths for C3. Astrophy. J. 343, 554. (Ab initio calculations.)
Kawaguchi, K., Matsumura, K., Kanamori, H., Hirota, E. 1989. Diode laser spectroscopy of C3: the 2+3-2, 22+3-22, and 22+3 bands. J. Chem. Phys. 91, 1953-1957.
Schmuttenmaer, C.A., Cohen, R.C., Pugliano, N., Heath, J.R., Cooksy, A.L., Busarow, K.L., Saykally, R.J. 1990. Tunable far-IR laser spectroscopy of jet-coolet carbon-clusters: the 2 bending vibration of C3. Science 249, 897-900.
Giesen, T.F., Van Orden, A.O., Cruzan, J.D., Provencal, R.A., Saykally, R.J., Gendriesch,R., Lewen, F., Winnewisser, G. 2001. Interstellar detection of CCC and high-precision laboratory measurements near 2 THz. Astrophys. J. 551, L181-L184.

Rotational structure: linear, non-polar.

B = 12 907.8 MHz			 = 0

C3	C3	(continued)

Astrophysical detections:

Planetary atmospheres:	
Comets:	visible (electronic A1u-X1+g)
Interstellar medium:	visible (electronic A1u-X1+g, diff. clouds), 
		IR (rovib., circumstellar envelopes)
Extragalactic:

Huggins, W. 1882. Preliminary notes on the photographic spectrum of comet 1881b. Proc. Roy. Soc. 33, 1.
Hinkle, K.W., Keady, J.J., Bernath, P.F. 1988. Detection of C3 in the circumstellar shell of IRC+10216. Science 241, 1319. (And references therein.)
Cernicharo, J., Goicoechea, J.R., Caux, E. 2000. Far-infrared detection of C3 in sSagittarius B2 and IRC+10216. Astrophys. J. 534, L199-L203.
Maier, J.P., Lakin, N.M., Walker, G.A.H., Bohlender, D.A. 2001. Detection of C3 in diffuse interstellar clouds. Astrophys. J. 553, 267-273.

C3N	C3N	Cyanoethynyl Radical

2+	C∞v

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	
	
	
	
	
_________________________________________________________________________

Rotational structure: linear.

B =  4947.6 MHz			 = (3.0) D (Poynter & Pickett use 2.2 D)

Poynter & Pickett. 50007
Guélin M., Friberg P., Mezaoui A. 1982. Astronomical study of the C3N and C4H radicals: hyperfine interactions and rho-type doubling. Astron. Astrophys. 109, 23-31.
Gottlieb, C.A., Gottlieb, E.W., Thaddeus, P. 1983. Laboratory detection of the C3N and C4H free radicals. Astrophys. J. 275-916-921.

Astrophysical detections:

Planetary atmospheres:	
Comets:
Interstellar medium:	radio (rot.)
Extragalactic:

Guélin M., Thaddeus P. 1977. Tentative detection of the C3N radical. Astrophys. J. 212, L81-L85.

C3O	C3O	Tricarbon Monoxide

1	C∞v

Photodissociation rate:

Interstellar medium:	 = 7.0 10-9 s-1 (Roberge et al. 1991)

Vibrational bands:
_________________________________________________________________________
band		a)	Sa)	A	g	mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
		2257.2
		(1907.)
		(939.)
		(580.)
		(120.)
_________________________________________________________________________

Jacox 1990.
Botschwina, P., Reisenauer, H.P. 1991. C3O: ab initio calculations and matrix IR spectra. Chem. Phys. Lett. 183, 217-222.
McNaughton, D., McGilvery, D., Shanks, F. 1991. High resolution FTIR analysis of the 1 band of tricarbon monoxide. J. Mol. Spect. 149, 458-473.

Rotational structure: linear.

B =  4 810.9 MHz			 = 2.39 D

Poynter & Pickett. 52008
Cologne 52501
Brown, R.D., Eastwood, F.W., Elmes, P.S., Godfrey, P.D. 1983. J. Am. Chem. Soc. 105, 6496.

Astrophysical detections:

Planetary atmospheres:	
Comets:	
Interstellar medium:	radio (rot.)
Extragalactic:

Matthews, H.E., Irvine, W, Friberg, P., Brown, R.D., Godfrey, P.D. 1984. A new interstellar molecule: tricarbon monoxide. Nature 310, 125-126.

C3O2	OC3O	Carbon Suboxide

1+g	D∞h

Photodissociation rate:

By quiet Sun at 1 AU:  = 4.3 10-4 s-1 (Huntress, W.T.Jr., Allen, M., Delitsky, M. 1991. Carbon suboxide in comet Halley ? Nature 352, 316-318)
		= 1.210-4 s-1 (Crovisier, J.1994. Photodestruction rates for cometary parent molecules. J. Geoph. Res. Planets 99, 3777-3781)

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	+g	2196.9	na
	+g	787.7	na
	+u	2289.9	8900.	1400.	1.0 10-2
	+u	1587.4	134.	10.	1.1 10-4
	g	580.2	na
	u	540. 
	u	18.3
_________________________________________________________________________

Herzberg III.
Pugh and Rao 1976.
Williams, R.L. 1954. Intensities of the infrared bands of carbon suboxide. J. Chem. Phys. 22, 345.
Long, D.A., Murfin, F.S., Williams, R.L. 1954. The Raman and infra-red spectra of carbon suboxide. Proc. Roy. Soc. 223 A, 251-266.
Miller, F.A., Fateley, W.G. 1964. The infrared spectrum of carbon suboxyde. Spectrochim. Acta 20, 253-266.
Lafferty, W.J., Maki, A.G., Plyler, E.K. 1964. High-resolution infrared determination of the structure of carbon suboxide. J. Chem. Phys. 40, 224-229.
Fusina, L., Millis, I, Guelachvili, G. 1980. Carbon suboxide: the infrared spectrum from 1800 to 2600 cm-1. J. Mol. Spect. 79, 101-122.
Vander Auwera, J., Johns, J.W.C., Polyansky, O.L. 1991. The far infrared spectrum of C3O2. J. Chem. Phys. 95, 2299-2316.
Walters, A.D., Winnewisser, M., Lattner, K., Winnewisser, B.P. 1991. A supersonic molecular jet for a Fourier transform interferometer: the 3 band of OCCCO. J. Mol. Spect. 149, 542-556.

Rotational structure: pseudo linear.

B = 0.075 564 cm-1			 = 0

Astrophysical detections: none.

C3S	C3S	C3S Radical

1+	C∞v

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
		2053.	
		
		
			
	
_________________________________________________________________________

Murakami, A. 1990. A quantum chemical study of the linear C2S and C3S molecules. Astrophys. J. 357, 288-290. (ab initio.)
Takano, S., Tang, S., Saito, S. 1996. Infrared diode laser spectroscopy of the 1 fundamental and 1 + 5 - 5 bands of the C3S molecule. J. Mol. Spect. 178, 194-198

Rotational structure: linear.

B = 2 890.4 MHz			 = 3.7 D

Poynter & Pickett. 68001
Cologne 68503
Oshima, Y., Endo, Y. 1992. Strructure of C3S studied by pulsed-discharge-nozzle Fourier-transform microwave spectroscopy. J. Mol. Spect. 153, 627-634.
Lovas, F.J., Suenram, P.D., Ogata, T., Yamamoto, S. 1992. Microwave spectra and electric dipole moments for low-J levels of interstellar radicals: SO, C2S, C3S, c-HC3, CH2CC, and c-C3H2. Astrophys. J. 399, 325-329. 
Suenram, R.D., Lovas, F.J. 1994. Electric dipole moment of C3S. Astrophys. J.  429, L89-L90.

Astrophysical detections:

Planetary atmospheres:	
Comets:	
Interstellar medium:	radio (rot.)
Extragalactic:

Cernicharo, J., Guélin, M., Hein, H., Kahane, C. 1987. Sulfur in IRC+10216. Astron. Astrophys. 181, L9-L12.
Yamamoto, S., Saito, S., Kawaguchi, K., Kaifu, N., Suzuki, H., Ohishi, M. 1987. Laboratory detection of a new carbon-chain molecule C3S and its astronomical identification. Astrophys. J. 317, L119-L121.

C3Si	SiC3	

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	
	
	

_________________________________________________________________________

Rotational structure: linear.

B =   6 747.7 MHz			B =  (4.8) D

Cologne 64505
McCarthy, M.C., Apponi, A.J., Gottlieb, C.A., Thaddeus, P. 2000. The detection of five new silicon carbides: SiC3, SiC5, SiC6, SiC7, and SiC8. Astrophys. J. 538, 766-772.

Astrophysical detections:

Planetary atmospheres:	
Comets:
Interstellar medium:	
Extragalactic:

C3Si	c-SiC3	

1A1	

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	
	
	

_________________________________________________________________________

Rotational structure: linear.

A =  37 943.8 MHz	
B =   6 282.9 MHz			B =  (4.2) D
C =   5 386.9 MHz

Cologne 64501
Apponi, A.J., McCarthy, M.C., Gottlieb, C.A., Thaddeus, P. 1999. The rotational spectrum of rhomboidal SiC3. J. Chem. Phys. 111, 3911-3918.

Astrophysical detections:

Planetary atmospheres:	
Comets:
Interstellar medium:	radio (circumstellar envelopes, rot.)
Extragalactic:

Apponi, A.J., McCarthy, M.C., Gottlieb, C.A., Thaddeus, P. 1999. Astronomical detection of rhomboidal SiC3. Astrophys. J. 516, L103-L106.

C3H	C3H	Propynyl Radical

2i	C∞v

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
		(3237.)				CH str.
		(1824.)				C3 a-str.
		(1158.)				C3 s-str.
		28.				HCC bend.
			
_________________________________________________________________________

Jacox 1990.
Huang J.W., Graham, W.R 1990. Fourier transform infrared study of tricarbon hydride radicals trapped in Ar at 10 K. J. Chem. Phys. 93, 1583-1596.
Qian Jiang, Rittby, C.M.L., Graham, W.R.M. 1993. Vibrational spectrum of linear C3H in solid argon. J. Chem. Phys. 99, 3194-3199.

Rotational structure: linear.

B = 11 186.3 MHz			 = (3.1) Da)

Poynter & Pickett. 37002
Gottlieb, C.A., Vrtilek, J, Gottlieb, E.W., Thaddeus, P., Hjalmarson, A. 1985. Laboratory detection of the C3H radical. Astrophys. J. 294, L55-L58.
Gottlieb, C.A., Gottlieb, E.W., Thaddeus, P., Vrtilek, J 1986. The rotational spectrum of the C3H radical. Astrophys. J. 303, 446-450.
Lovas and Suenram 1989.
a) Green , S.1980. Theoretical microwave spectral constants for C2N, C2N+, and C3H. Astrophys. J. 240, 962-967 (ab initio)
Pauzat, F., Ellinger, Y., McLean, A.D. 1991. Is interstellar detection of higher members of the linear radicals CnCN and CnN feasible? Astrophys. J. 369, L13-L16. (dipole moment = 3.53 D)

Astrophysical detections:

Planetary atmospheres:	
Comets:
Interstellar medium:	radio (rot.)
Extragalactic:

Thaddeus, P., Gottlieb, C.A., Hjalmarson, A., Johansson, L.E.B., Irvine, W, Friberg, P., Linke, R.A. 1985. Astronomical identification of the C3H radical. Astrophys. J. 294, L49-L53.

C3H	c-C3H	Cyclic Propynyl Radical	

2B2	C2v

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band		s	S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	a1	(3440.)	
	a1	(1701.)	
	a1	(1332.)	
	b1	(940.)	
	b2	(989.)	
	b2		
_________________________________________________________________________

Huang J.W., Graham, W.R 1990. Fourier transform infrared study of tricarbon hydride radicals trapped in Ar at 10 K. J. Chem. Phys. 93, 1583-1596.
Qian Jiang, Rittby, C.M.L., Graham, W.R.M. 1993. Vibrational spectrum of linear C3H in solid argon. J. Chem. Phys. 99, 3194-3199.

Rotational structure: 

A =  44 536.8 MHz			
B =  34 016.3 MHz			B = 2.30  D
C =  19 188.9 MHz

Poynter & Pickett. 37003
Lovas, F.J., Suenram, P.D., Ogata, T., Yamamoto, S. 1992. Microwave spectra and electric dipole moments for low-J levels of interstellar radicals: SO, C2S, C3S, c-HC3, CH2CC, and c-C3H2. Astrophys. J. 399, 325-329. 
Yamamoto, S., Saito, S. 1994. Microwave spectrum and molecular structure of the cyclic C3H radical. J. Chem. Phys. 101, 5484-5493.

Astrophysical detections:

Planetary atmospheres:	
Comets:
Interstellar medium:	radio (rot.)
Extragalactic:

Yamamoto, S., Saito, S., Ohishi, M., Suzuki, H., Ishikawa, S., Kaifu, N., Murakami, A. 1987. Laboratory and astronomical detection of the cyclic C3H radical. Astrophys. J. 322, L55-L58.

C3HN	HC3N	Cyanoacetylene
		Propynenitrile

	C∞v

Photodissociation rate 

By quiet Sun at 1 AU:	= 3.9 10-5 s-1 (Huebner et al. 1992)
	= 3.4 10-5 s-1 (Krasnopolsky, V.A. 1991. C3 and CN parents in comet P/Halley. Astron. Astrophys. 245, 310-315.)
	= 6.610-5 s-1 (Crovisier, J.1994. Photodestruction rates for cometary parent molecules. J. Geoph. Res. Planets 99, 3777-3781)
Interstellar medium:	 = 3.6 10-9 s-1 (van Dishoeck 1988);  = 7.4 10-9 s-1 (Roberge et al. 1991)

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
		3327.3    	245. b)	206. 	8.6 10-4
		2272. b)	40.3b)	15.8	1.1 10-4
		2077. b)	7.8b)	2.6	2.0 10-5
		863. b)	0.24b)	0.014	3.1 10-7
		663.4a)	278. a)	4.7	2.8 10-4
		498.7a)	32.5a)	0.3	2.6 10-5
		223. c)	0.90c)	0.0016	2.9 10-7
_________________________________________________________________________

GEISA (5, 6).
a) Uyemura, M., Deguchi, S., Nakada, Y., Onaka, T. 1982. Infrared intensities of bending fundamentals in gazeous HCCCN and DCCCN. Chem. Soc. Japan 55, 384-388.
b) Uyemura, M., Maeda, S. 1974. The infrared intensities of stretching fundamentals in gaseous and crystalline cyanoacetylene Bull. Chem. Soc. Japan 47, 2930.
c) Deguchi, S., Nakada, Y., Onaka, T. 1979Vibrational excitation of cyanoacetylene. Publ. Astron. Japan 31, 105.
More recent determinations:
Khlifi, M., Raulin, F., Arie, E., Graner, G. 1990. Absolute intensity of the IR bands of propynenitrile. J. Mol. Spect. 143, 209-211. (1, 2, 3)
Arie, E., Dang Nhu, M., Arcas, P., Granner, G., Bürger, H., Pawelke, G., Khlifi, M., Raulin, F. 1990. Analysis of cyanoacetylene spectra in the mid-infrared. J. Mol. Spect. 143, 318-326. (5, 6)
Khlifi, M., Raulin, F., Dang-Nhu, M. 1992. Integrated band intensity versus temperature for the 1, 2, 3 and 5 bands of cyanoacetylene. J. Mol. Spect. 155, 77-83
Winther, F., Klee, S., Mellau, G., Naïm, S., Mbosei, L., Fayt, A. 1996. The 1 band system of H-CC-CN (cyanoacetylene). J. Mol. Spect. 175, 354-362.

Rotational structure: linear.

B = 4 549.06 MHz			 = 3.724 D

Poynter & Pickett. 51001
Cologne 51501
Lafferty, W.J., Lovas, F.J. 1978. Microwave spectra of molecules of astrophysical interest. XIII. Cyanoacetylene. J. Phys. Chem. Ref. Data. 7, 441.
Chen, W., Bocquet, R., Wlodarczak, G., Boucher, D. 1991. New far infrared measurements of the rotational spectrum of cyanoacetylene HC3N. Int. J. Infrared Millim. Waves 12, 987-995.

C3HN	HC3N	(continued)

Astrophysical detections:

Planetary atmospheres:	radio (rot. Titan), IR (rovib. Titan)
Comets:	radio (ràt.)
Interstellar medium:	radio (rot.)
Extragalactic:	radio (rot.)

Turner, B.E. 1971. Detection of interstellar cyanoacetylene. Astrophys. J. 163, L35-L39.
Kunde, V.G., Aikin, A.C., Hanel, R.A., Jennings, D.E. Maguire, W.C., Samuelson, R.E. 1981. C4H2, HC3N and C2N2 in Titan's atmosphere. Nature 292, 686-688.
Henkel, C., Mauersberger, R., Schilke, P. 1988. Molecules in external galaxies: the detection of CN, C2H, and HNC, and the tentative detection of HC3N. Astron. Astrophys. 201, L23-L26. (Tentative.)
Mauersberger, R., Henkel, C., Sage, L. 1990. Dense gas in nearby galaxies. III. HC3N as an external density probe. Astron. Astrophys. 236, 63-68.
Lis, D.C., Gardner, M., Phillips, T.G., Bockelée-Morvan, D., Biver, N., Crovisier, J., Colom, P., Despois, D. 1997. Comet C/1995 O1 (Hale-Bopp). IAU Circ. No 6566

C3HN	HCCNC	Isocyanoacetylene
		Ethynylisocyanide

	C∞v

Photodissociation rate 

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
		3339.0
		2218.6
		2036.7
		955.1
		620.6
		430. 
		207. 
_________________________________________________________________________

Bürger, H., Sommer, S., Lentz, D., Preugschat, D. 1992. High-resolution FTIR study and rotational analyses of the 1-5 bands of ethynyl isocyanide: HCCNC and DCCNC. J. Mol. Spect. 156, 360-372.

Rotational structure: linear.

B = 4 967.84 MHz			 = 2.9 D

Poynter & Pickett. 51004

Astrophysical detections:

Planetary atmospheres:	
Comets:
Interstellar medium:	radio (rot.)
Extragalactic:	

Kawaguchi, K., Ohishi, M., Ishikawa, S., Kaifu, N. 1992. Detection of isocyanoacetylene HCCNC in TMC 1. Astrophys. J. 386, L51-L53.

C3HN	HNCCC	

	C∞v

Photodissociation rate 

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
		
		
		
		
		
		
		
_________________________________________________________________________

Rotational structure: quasi-linear.

B = 4  668.34 MHz			 = (6.5) D

Poynter & Pickett. 51008
Hirahara Y., Ohshima, Y., Endo, Y.  1993. Laboratory detection  of HNCCC and DNCCC by pulsed discharge nozzle Fourier-transform microwave spectroscopy. Astrophys. J. 403, L83-L85.

Astrophysical detections:

Planetary atmospheres:	
Comets:
Interstellar medium:	radio (rot.)
Extragalactic:	

Kawaguchi, K., Takano, S., Ohishi, M., Ishikawa, S., Miyazawa, K., Kaifu, N., Yamashita, K., Yamamoto, S., Saito, S., Ohshima, Y., Endo, Y. 1992. Detection of HNCCC in TMC 1. Astrophys. J. 396, L49-L51.

C3HP	HC3P	Phosphabutadiyne

	C∞v

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
					
					
					
					
		(567.)			
		(412.)			
		(206.)				
_________________________________________________________________________

Landolt-Börnstein 1982.

Rotational structure: linear.

B =  2 656.4 MHz			 =  D

Landolt-Börnstein 1982.

Astrophysical detections: none.

C3H2	H2CCC	Propadienylidene
		Vinyllidenecarbene

	C2v

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	a1	(3059.)				CH2 s-str;	
	a1	(1963.)				C3 a-str.
	a1	(1449.)				CH2 scis.
	a1					
	b1	(1003.)				H2CC OPLA
	b1					
	b2					
	b2	(1025.)				CH2 rock.
	b2					
_________________________________________________________________________

Jacox 1990.
Maier G., Reisenauer H.P., Schwab W., Carsky P., Spirko V., Hess B.A. Jr., Schaad J. 1987. J. Am. Chem. Soc. 109, 5184. (Bands observed at 3049, 1952, 1447, 1003 and 999 cm-1.)
DeFrees, D.J., McLean, A.D. 1986. Ab initio molecular orbital studies of low-energy, metastable isomers of the ubiquitous cyclopropenylidene. Astrophys. J. 308, L31-L35.
Huang J.W., Graham, W.R 1990. Fourier transform infrared study of tricarbon hydride radicals trapped in Ar at 10 K. J. Chem. Phys. 93, 1583-1596.

Rotational structure:

A = 288 783.  MHz			A = (4.1) D
B =  10 588.6 MHz
C =  10 204.0 MHz

Vrtilek J, Gottlieb C.A., Gottlieb E.W., Killian T.C., Thaddeus, P. 1990. Laboratory detection of propadienylidene, H2CCC. Astrophys. J. 364, L53-L56.

Astrophysical detections:

Planetary atmospheres:	
Comets:
Interstellar medium:	radio (rot.)
Extragalactic:	

Cernicharo, J., Gotlieb, D.A., Guélin, M., Killian, T.C., Paubert, G., Thaddeus, P., Vrtilek, J 1991. Astronomical detection of H2CCC. Astrophys. J. 368, L39-L41.

C3H2	c-C3H2	Cyclopropenylidene

1A1	C2v

Photodissociation rate:

Interstellar medium:	 = 1.2 10-9 s-1 (van Dishoeck 1988)

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	a1		
	a1		
	a1	1277.4
	a1	
	a2		na		
	b1	
	b2	
	b2	
	b2	
_________________________________________________________________________

Jacox 1990.
Huang J.W., Graham, W.R 1990. Fourier transform infrared study of tricarbon hydride radicals trapped in Ar at 10 K. J. Chem. Phys. 93, 1583-1596. (Bands observed at 1278 (4), 1064, 887 and 788 cm-1.)
DeFrees, D.J., McLean, A.D. 1986. Ab initio molecular orbital studies of low-energy, metastable isomers of the ubiquitous cyclopropenylidene. Astrophys. J. 308, L31-L35.
Hirahara, Y., Masuda, A., Kawaguchi, K. 1991. Fourier transform infrared spectroscopy of the 3 band of cyclopropenylidene, C3H2. J. Chem. Phys. 95, 3975-3979.

Rotational structure:

A = 35 092.5 MHz
B = 32 212.9 MHz			B = 3.27 D
C = 16 749.0 MHz

Poynter & Pickett. 38002
Bogey, M., Demuynck, C., Destombes, J.L. 1986. Centrifugal distorsion analysis of the rotational spectrum of cyclopropenylidene HCCCH Chem. Phys. Lett. 125, 383-388.
Kanata, H., Yamamoto, S., Saito, S. 1987. Microwave spectroscopic determination of the dipole moment of cyclopropenylidene, C3H2. Chem. Phys. Lett. 140, 221-224.
Bogey, M., Demuynck, C., Destombes, J.L., Dubus, H. 1987. Molecular structure of cyclopropenylidene, HCCCH, from the millimeter wave spectrum of its isotopomers. J. Mol. Spect. 122, 313-324.
Lovas, F.J., Suenram, P.D., Ogata, T., Yamamoto, S. 1992. Microwave spectra and electric dipole moments for low-J levels of interstellar radicals: SO, C2S, C3S, c-HC3, CH2CC, and c-C3H2. Astrophys. J. 399, 325-329. 
Lovas and Suenram 1989.

C3H2	c-C3H2	(continued)

Astrophysical detections:

Planetary atmospheres:	
Comets:
Interstellar medium:	radio (rot.)
Extragalactic:	radio (rot.)

Thaddeus, P., Vrtilek, J, Gottlieb, C.A. 1985. Laboratory and astronomical identification of cyclopropenylidene, C3H2. Astrophys. J. 299, L63-L66.
Seaquist, E.R., Bell, M.B. 1986. Detection of the hydrocarbon ring molecule C3H2 in the radio galaxy Centaurus A (= NGC 5128). Astrophys. J. 303, L67-L70.
Vrtilek, J, Gottlieb, C.A., Thaddeus, P. 1987. Laboratory and astronomical spectroscopy of C3H2, the first interstellar organic ring. Astrophys. J. 314, 716-725.

C3H2+	C3H2+	

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
		
		
		
		
		
		
		
		
		
_________________________________________________________________________

Rotational structure: 

A = MHz		A = D
B = MHz		B = D
C = MHz		C = D

Astrophysical detections: none.

C3H2N+	HC3NH+	Protonated Cyanoacetylene

	C∞v

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
		3514.0				NH str.
	
		2315.1				OH str.
	
		
		
	
		
		
_________________________________________________________________________

Jacox 1990.
Lee, S.K., Amano, T. 1987. Laboratory detection of HC3NH+ by infrared difference frequency laser spectroscopy. Astrophys. J. 323, L145-L148.
Kawaguchi, K., Kajita, M., Tanaka, K., Hirota, E. 1990. Diode laser spectroscopy of the 3 (CN-stretch) band of HC3NH+. J. Mol. Spect. 144, 451-453.

Rotational structure: linear

B = 4 329.00 MHz			 = (1.61) D

Cologne 52503

Astrophysical detections:

Planetary atmospheres:	
Comets:
Interstellar medium:	radio (rot.)
Extragalactic:	

Kawaguchi, K., Kasai, Y., Ishikawa, S., Ohishi, M., Kaifu, N., Amano, T. 1994. Detection of a new molecular ion HC3NH+ in TMC-1. Astrophys. J.  420, L95-L97.

C3H2O	HC2CHO	Propynal

1A'	Cs

Photodissociation rate:

By quiet Sun at 1 AU:	= 1.5 10-3 s-1 (Krasnopolsky, V.A. 1991. C3 and CN parents in comet P/Halley. Astron. Astrophys. 245, 310-315.)

Vibrational bands:
_________________________________________________________________________
band			S	A	g	mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	a'	3326. 	
	a'	2858.2	
	a'	2110.4	
	a'	1698.2	
	a'	1383.3	
	a'	934.9	
	a'	662.8	
	a'	614.7	
	a'	203.3	
	a"	981.2	
	a"	692.7	
	a"	260.6	
_________________________________________________________________________

Herzberg III.
Oref, I., Speiser, S., Atkinson, G.H. 1986. J. Phys. Chem. 90, 912-916.

Rotational structure:

A = 68 035.30 MHz			A = 2.39 D
B =  4 826.30 MHz			B = 0.60 D
C =  4 499.51 MHz

Winnewisser, G. 1973. The ground state of propynal. J. Mol. Spect. 46, 16

Astrophysical detections:

Planetary atmospheres:	
Comets:
Interstellar medium:	radio (rot.)
Extragalactic:

Irvine, W, Brown, R.D., Cragg, D, Friberg, P., Godfrey, P.D., Kaifu, N., Matthews, H.E., Ohishi, M., Suzuki, H., Takeo, H. 1988. A new interstellar polyatomic molecule: detection of propynal in the cold cloud TMC-1. Astrophys. J. 335, L89-L93

C3H3N	CH2CHCN	Vinyl Cyanide
		Acrylonitrile

	Cs

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
		3125.	8.5	2.6	1.2 10-5	CH str.
		
		3042.	6.5	1.8	8.8 10-6	CH str.
		2239.	1.2	0.2	1.3 10-6	CN str.
		1616.	16. 	1.3	1.4 10-5	CC str.
		1416.	24. 	1.5	1.9 10-5	CH2 def.
		
		1095.	8.3	0.3	5.3 10-6	CH2 rot.
		971.	100. 	2.9	5.7 10-5	CCCN wag.
		954.	100. 	2.8	5.7 10-5	CH2C wag.
		869.	6.5	0.2	3.4 10-6	CCN str.
		683.	33. 	0.5	1.4 10-5	CC tors.
		
		
		229.	10. 	0.02	1.5 10-6	CCN bend.
_________________________________________________________________________

Cerceau, F., Raulin, F., Courtin, R., Gautier, D. 1985. Infrared spectra of gaseous mononitriles: application to the atmosphere of Titan. Icarus 62, 207-220.

Rotational structure:

A = 49 850.7 MHz			A = 3.81 D
B =  4 971.2 MHz			B = 0.89 D
C =  4 513.8 MHz

Poynter & Pickett. 53001
Gerry, M.C.L., Yamada, K., Winnewisser, G. 1979. Microwave spectra of molecules of astrophysical interest. XIV. Vinyl cyanide (acrylonitrile). J. Phys. Chem. Ref. Data. 8, 107-123.
Demaison, J., Cosléou, J., Bocquet, R., Lesarri, A.G. 1994. Submillimeter-wave spectrum and structure of acrylonitrile. J. Mol. Spect. 167, 400-418.
Stolze, M., Suter, D.H. 1984. Molecular g-values, magnetic susceptibility anisotropies, molecular electric quadripole moments, improved molecular dipole moments and 14N-quadrupole coupling constants of acrylonitrile, H2C=CH-CN, and the magnetic susceptibility tensor of the nitrile group. Z. Naturforsch. A40, 998-1010.

Astrophysical detections:

Planetary atmospheres:	
Comets:
Interstellar medium:	radio (rot.)
Extragalactic:

Gardner, F.F., Winnewisser, G. 1975. The detection of interstellar vinyl cyanide (acrylonitrile). Astrophys. J.  195, L127-L130.

C3H3+	C3H3+	

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
		
		
		
		
		
		
		
		
		
		
		
		
_________________________________________________________________________

Rotational structure: 

A = MHz		A = D
B = MHz		B = D
C = MHz		C = D

Astrophysical detections: none.

C3H4	CH3CCH	Propyne
	Methyl Acetylene

1A1	C3v

Photodissociation rate:

By quiet Sun at 1 AU:	=2.0 10-4 s-1 (Jackson, W 1976. Laboratory observations of the photochemistry of parent molecules: a review. In The Study of Comets, NASA SP-393, 679-702)
	= 3.5 10-5 s-1 (Krasnopolsky, V.A. 1991. C3 and CN parents in comet P/Halley. Astron. Astrophys. 245, 310-315.)
	= 4.210-5 s-1 (Crovisier, J.1994. Photodestruction rates for cometary parent molecules. J. Geoph. Res. Planets 99, 3777-3781)
nterstellar medium:	 = 5.5 10-9 s-1 (Roberge et al. 1991)

Vibrational bands:
_________________________________________________________________________
band		s	S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	a1	3335.1	176. 	60.   	2.5 10-4	CH str.
	a1	2941.0	79. 	21.   	1.0 10-4	CH3 s-str.
	a1	2138. 	21. 	3.0  	2.3 10-5	CC str.
	a1	1391. 	6. 	0.4  	4.7 10-6	CH3 s-def.
	a1	930.3	2.6	0.07 	1.5 10-6	C-C str.
	e	2980.9	63. 	8.5  	8.5 10-5	CH3 d-str.
	e	1454. 	72. 	2.3  	5.8 10-5	CH3 d-def.
	e	1036.1	1. 	0.016	6.1 10-7	CH3 rock.
	e	638.6	360. 	2.3  	1.4 10-4	CH bend.
	e	328. 	63. 	0.10 	1.3 10-5	CCC bend.
_________________________________________________________________________

Shimanouchi I.
Bode, J.H.G., Smit, WA., Visser, T., Verkruijsse, H.D. 1980. The absolute infrared intensities of propyne-d0 and propyne-d3. J. Chem. Phys. 72, 6560-6570.
Al Adlouni, T., Meyer, F., Meyer, C., Jennings, D.E., Hillman, J.J. 1987. Fourier transform spectrum of 5 and 8 bands of propyne. Int. J. Infrared Millim. Waves 8, 1083-1096.
McIlroy, A., Wesbitt, D.J. 1989. High-resolution, slit jet infrared spectroscopy of hydrocarbons: quantum state specific mode mixing in CH stretch-excited propyne. J. Chem. Phys. 91, 104‑113. (1, 2, 6.)
Graner, G., Wagner, G. 1990. High-resolution infrared spectrum of propyne: the 30 m region. J. Mol. Spect. 144, 389-415. (10 band.)
Pekkala, K. 1990. The 9 band of propyne. J. Mol. Spect. 144, 416-428.
Pracna, P., Demaison, J., Wlodarczak, G., Lesarri, A., Graner, A. 1996. Simultaneous analysis of rovibrational and rotational spectra of the 5 = 1 and 8 = 1 vibrational levels of propyne. J. Mol. Spect. 177, 124-133.

Rotational structure: prolate symmetric top.

A = 159 142.1 MHz			A = 0.7804 D (0.75 D for Poynter & Pickett 1984)
B = C = 8 545.88 MHz

C3H4	CH3CCH	(continued)

Poynter & Pickett. 40001
Cologne 40502
Bauer, A., Boucher, D., Burie, J., Demaison, J., Dubrulle, A. 1979. Microwave spectra of molecules of astrophysical interest. XV. Propyne. J. Phys. Chem. Ref. Data. 8, 527.
Wlodarczak, C., Bocquet, R., Bauer, A., Demaison, J. 1988. The submillimeter-wave rotational spectrum of propyne: analysis of the ground and the low-lying excited vibrational states. J. Mol. Spect. 129, 371-380.
Lovas and Suenram 1989.
Bocquet, R., Chen, W.D., Papousek, D., Wlodarczak, G., Demaison, J. 1994. The submillimeter-wave rotational spectra of 12CD3F, 13CD3F, CH3Br, and CH3CCH. J. Mol. Spect. 164, 456-472.

Astrophysical detections:

Planetary atmospheres:	IR (rovib. Jupiter, Titan) 
Comets:
Interstellar medium:	dark clouds, radio (rot.)
Extragalactic:	radio (rot.)

Snyder, L.E., Buhl, D. 1973. Interstellar methylacetylene and isocyanic acid. Nature Phys. Science 243, 45-46.
Maguire, W.C., Hanel, R.A., Jennings, D.E., Kunde, V.G., Samuelson, R.E. 1981. C3H8 and C3H4 in Titan's atmosphere. Nature 292, 683-686.
Mauersberger, R., Sage, L.J., Henkel, C. 1989. Extragalactic CH3CCH. IAU Circ. No 4906, 4914.
Foucher, T., Lellouch, E., Bézard, B., Feuchtgruber, H., Drossart, P., Encrenaz, T. 2000. Jupiter's hydrocarbons observed with ISO-SWS: vertical profiles of C2H6 and C2H2, detection of CH3C2H. Astron. Astrophys. 355, L13-L17.

C3H4	CH2CCH2	Allene

1A1	D2d  (Vd in Herzberg II)

Photodissociation rate:

By quiet Sun at 1 AU:	= 1.4 10-4 s-1 (Krasnopolsky, V.A. 1991. C3 and CN parents in comet P/Halley. Astron. Astrophys. 245, 310-315.)
	= 1.810-4 s-1 (Crovisier, J.1994. Photodestruction rates for cometary parent molecules. J. Geoph. Res. Planets 99, 3777-3781)

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	a1	3015. 	na			CH2 s-str.
	a1	1442. 	na			CH2 scis.
	a1	1073. 	na			CC str.
	b1	865. 	??			CH2 twist.
	b2	3007. 				CH2 s-str.
	b2	1957. 				CC str.
	b2	1398. 				CH2 scis.
	e	3086. 				CH2 a-str.
	e	999. 	36.	0.5	2.1 10-5	CH2 rock.
	e	841. 	301.	3.3	1.5 10-4	CH2 wag.
	e	352.6				CCC def.
_________________________________________________________________________

Shimanouchi I.
Koga, Y., Kondo, S., Nakanaga, T., Saëki, S. 1979. J. Chem. Phys. 71, 2404-2411.
Pliva, J., Kauppinen, J. 1985. High-resolution Fourier-transform study of the perpendicular band 11 of allene at 353 cm-1. J. Mol. Spect. 111, 93-101.
Wang, W.F., Sirota, J.M., Reuter, D.C. 1999. Allene 9 and 10: low-temperature measurements of line intensity. J. Mol. Spect. 194ct. , 256-268.

Rotational structure: prolate symmetric top, non-polar.

A = 4.811 655 cm-1			 = 0
B = C = 0.296 274 87 cm-1

Lovas and Suenram 1989.
Hegelund, F., Andresen, N., Koivusaari, M. 1991. Ground-state constants and K-type doubling for allene. J. Mol. Spec. 149, 305-313.

Astrophysical detections: none.

C3H5N	CH3CH2CN	Ethyl Cyanide
		Propionitrile

	Cs

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band		s	S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	a'	3001.	310.	with 14	4.2 10-4	CH3 d-str.
	a'	2955.				CH3 s-str.
	a'	2900.				CH3 s-str.
	a'	2254.	11.	1.7	1.2 10-5	CN str.
	a'	1465.	70.	with 16	5.7 10-5	CH3 d-def.
	a'	1433.				CH2 scis.
	a'	1387.				CH3 s-def.
	a'	1319.	17.	0.9	1.3 10-5	CH2 wag.
	a'	1077.	37.	1.3	2.3 10-5	C-CN str.
	a'	1005.				CC str.
	a'	836.				CH3 rock.
	a'	545.				CCC def.
	a'	226.	15.	0.02	2.2 10-6	CCN bend.
	a"	3001.				CH3 d-str.
	a"	2849.				CH2 a-str.
	a"	1465.				CH3 d-def.
	a"	1256.				CH2 twist.
	a"	1022.				CH3 rock.
	a"	786.	9.	0.2	4.3 10-6	CH2 rock.
	a"	378.				CCN bend.
	a"	222.				torsion
_________________________________________________________________________
Shimanouchi I.
Cerceau, F., Raulin, F., Courtin, R., Gautier, D. 1985. Infrared spectra of gaseous mononitriles: application to the atmosphere of Titan. Icarus 62, 207-220.

Rotational structure:

A = 27 663.7 MHz			A = 3.85 D
B =  4 714.2 MHz			B = 1.23 D
C =  4 235.0 MHz

Poynter & Pickett. 55001
Lovas, F.J. 1982. Microwave spectra of molecules of astrophysical interest. XXI. Ethanol (C2H5OH) and propionitrile (C2H5CN). J. Phys. Chem. Ref. Data. 11, 251-312.
Pearson, J.C., Sastry, K.V.L.N., Herbst, E., DeLucia, F.C. 1994. The submillimeter-wave spectrum of propionitrile (C2H5CN). Astrophys. J. Suppl. 93, 589-610.
Fukuyama, Y., Odashima, H., Kakagi, K., Tsunekawa, S. 1996. The microwave spectrum of propionitrile (C2H5CN) in the frequency range fro 8 to 200 GHz. Astrophys. J. Suppl.104, 329-346

Astrophysical detections:

Interstellar medium:	radio (rot.)

Johnson, D.R., Lovas, F.J., Gottlieb, C.A., Gottlieb, E.W., Litvak, M, Guélin, M., Thaddeus, P. 1977. Detection of interstellar ethyl cyanide. Astrophys. J. 218, 370-376.

C3H6	c-C3H6	Cyclopropane

	D3h

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A		mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	a'1	3038. 	na			CH2 s-str.
	a'1	1479. 	na			CH2 scis.
	a'1	1188. 	na			ring str.
	a"1	1126. 	na			CH2 twist
	a'2	1070. 	na			CH2 wag.
	a"2	3101.8				CH2 a-str.
	a"2	854. 				CH2 rock.
	e'	3019.2				CH2 s-str.
	e'	1438. 				CH2 ssis.
	e'	1029. 				CH2 wag.
	e'	866. 				ring def.
	e"	3082. 	na			CH2 a-str.
	e"	1188. 	na			CH2 twist
	e"	739. 	na			CH2 rock.
_________________________________________________________________________

Shimanouchi I.
Merdes, D.W., Pliva, J., Pine, A.S. 1991. Perpendicular bands of cyclopropane in the 3.5 m region. J. Mol. Spect. 147, 431-447. (8.)
Pliva, J., Merdes, D.W., Pine, A.S. 1992. Parallel bands of cyclopropane in the 3.2 m region. J. Mol. Spect. 153, 133-144.

Rotational structure: oblate symmetric top, non polar.

A = B =  MHz
C = MHz				 = 0

Lovas and Suenram 1989.

Astrophysical detections: none.

C3H6	CH3CHCH2	Propylene
		Propene

1A'	Cs

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	a'	3089.7
	a'	(3013.)
	a'	2991.5
	a'	2932.7
	a'	2869.8
	a'	1651.6
	a'	1473.6
	a'	1419.2
	a'	1377.6
	a'	1278. 
	a'	1229. 
	a'	1171.9
	a'	920.4
	a'	427.5
	a"	2954.0
	a"	1442.6
	a"	1044.7
	a"	990.6
	a"	912.4
	a"	577.6
	a"	(174.)
_________________________________________________________________________

Herzberg III.

Rotational structure: 

A =46 280.3  MHz			A = 0.360 D
B =  9 305.2 MHz			B = 0.05  D
C =  8 134.2 MHz

Lovas and Suenram 1989.

Astrophysical detections: none.

C3H6O	CH3COCH3	Acetone
		Propanone

	C2v

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band		a)	Sb)	A	g	mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	a1	3019.	57.	with 13	7.7 10-5	CH3 d-str.
	a1	2937.	122.	with 14, 20	1.6 10-4	CH3 dsstr.
	a1	1731.	609.	56. 	5.6 10-4	CO str.
	a1	1435.	142.	with 15, 21	1.1 10-4	CH3 d-def.
	a1	1364.	280.	with 16	2.1 10-4	CH3 s-def.
	a1	1066.	20.	with 22	1.3 10-5	CH3 rock.
	a1	777.	9.	0.2	4.4 10-5	CC str.
	a1	385.	3.	0.01	7.0 10-7	CCC def.
	a2	2963.	na			CH3 d-str.
	a2	1426.	na			CH3 d-def.
	a2	877.	na			CH3 rock.
	a2	105.	na			torsion
	b1	3019.				CH3 d-str.
	b1	2937.				CH3 s-str.
	b1	1410.				CH3 d-def.
	b1	1364.				CH3 s-def.
	b1	1216.	267.	13. 	1.9 10-4	CC str.
	b1	891.	32.	0.8	1.7 10-5	CH3 rock.
	b1	530.	69.	with 23	2.3 10-5	CO ip-bend.
	b2	2972.				CH3 d-str.
	b2	1454.				CH3 d-def.
	b2	1091.				CH3 rock.
	b2	484.				CO op-bend.
	b2	109.				torsion
_________________________________________________________________________

a) Shimanouchi I.
b) Rogers, D.J. 1980. Infrared intensities of alcohols and ethers. Ph D dissertation, University of Florida. (8 and 23 are permuted in this work.)
Chao, J., Hall, K.R., Marsh, K.N., Wilhoit, R.C. 1986. Thermodynamic properties of key oxygen compounds in the carbon range C1 to C4. Part 2. Ideal gas properties. J. Phys. Chem. Ref. Data 15, 1369-1436.

Rotational structure: two-top with small barrier

A = 10 167.5 MHz			A = D
B =  8 515.1 MHz			B = D
C =  4 908.0 MHz

Vacherand, J, Van Eijck, B.P., Burie, J., Demaison, J. 1986. The rotation spectrum of acetone: internal rotation and centrifugal distorsion analysis. J. Mol. Spect. 118, 355-362.

C3H6O	CH3COCH3	(continued)

Astrophysical detections:

Planetary atmospheres:	
Comets:
Interstellar medium:	radio (rot.)
Extragalactic:

Combes, F., Gerin, M., Wooten, A., Wlodarczak, G., Clausset, F., Encrenaz, P.J. 1987. Acetone in interstellar space. Astron. Astrophys. 180, L13-L16.

C3H6O3	(H2CO)3	Trioxane

	C3v

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
banda)		a)	S	A	g	mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	a1	2852.	
	a1	2790.	
	a1	1495.	
	a1	1234.	
	a1	978.	
	a1	752.	
	a1	467.	
	a2	1383.)	na
	a2	1242.)	na
	a2	1122.)	na
	e	3030.	
	e	2852.	
	e	1481.	
	e	1410.	
	e	1305.	
	e	1178.	
	e	1071.	
	e	944.	
	e	525.	
	e	306.)	
_________________________________________________________________________

Stair, A.T. Jr., Nielsen, J.R. 1957. Vibrational spectra of sym-trioxane. J. Chem. Phys. 27, 402-407.
a) Kobayashi, M., Iwamoto, R., Tadokoro, H. 1966. Vibrational spectra of trioxane and trioxane-d6. J. Chem. Phys. 44, 922-933.
Henninot, J.-F., Bolvin, H., Demaison, J., Lemoine, B. 1992. The infrared spectrum of trioxane in a supersonic slit jet. J. Mol. Spect. 152, 62-68.

Rotational structure: cyclic, oblate symmetric top.

A = B = 5 273.3 MHz
C =  MHz				C = 2.07 D

Gadhi, J., Wlodarczak, G., Boucher, D., Demaison, J. 1989. The submillimeter-wave spectrum of trioxane. J. Mol. Spect. 133, 406-412.

Astrophysical detections: none.

C3H8	CH3CH2CH3	Propane

	C2v

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	a1	2977.				CH3 d-str.
	a1	2962.				CH3 s-str.
	a1	2887.				CH2 s-str.
	a1	1476.				CH3 d-def.
	a1	1462.				CH2 scis.
	a1	1392.				CH3 s-def.
	a1	1158.				CH3 rock
	a1	869.				CC str.
	a1	369.				CCC def.
	a2	2967.	na			CH3 d-str.
	a2	1451.	na			CH3 d-def.
	a2	1278.	na			CH3 twist.
	a2	940.	na			CH3 rock.
	a2	216.	na			torsion
	b1	2968.				CH3 d-str.
	b1	2887.				CH3 s-str.
	b1	1464.				CH3 d-def.
	b1	1378.				CH3 s-def.
	b1	1338.				CH2 wag.
	b1	1054.				CC str.
	b1	922.				CH3 rock.
	b2	2973.				CH3 d-str.
	b2	2968.				CH2 a-str.
	b2	1472.				CH3 d-def.
	b2	1192.				CH3 rock
	b2	748.				CH2 rock.
	b2	268.				torsion
_________________________________________________________________________

Shimanouchi I.
Giver, L.P., Varanasi, P., Valero, P.J. 1984. Propane absorption band intensities and band model parameters from 680 to 1580 cm-1 at 296 and 200K. J. Quant. Spect. Rad. Trans. 31, 203-213.

Rotational structure: non-polar.

A = MHz			
B = MHz				 = 0
C = MHz

Astrophysical detections:

Planetary atmospheres:	IR (rovib. Titan)
Comets:
Interstellar medium:
Extragalactic:

Maguire, W.C., Hanel, R.A., Jennings, D.E., Kunde, V.G., Samuelson, R.E. 1981. C3H8 and C3H4 in Titan's atmosphere. Nature 292, 683-686.

C4	C4	C4 Radical

3-g 	D∞h

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	+g		na			s-str.
	+g		na			a-str.
	+u	1548.6				a-str.
	g	(172.)				bend.
	g					bend.
_________________________________________________________________________

Jacox 1990
Chen, L.N., Graham, W.R Observation of an infrared frequency of the C4 radical 1989. J. Chem. Phys. 91, 5115-5116.
Heath J.R., Saykally, R.J. 1991. The structure of the C4 cluster radical. J. Chem. Phys. 94, 3271-3273.
Martin, JL., François, J.P., Gijbels, R. 1991. Ab initio study of the structure, infrared spectra and heat of formation of C4. J. Chem. Phys. 94, 3753-3761.
Withey, P.A., Shen, L.N., Graham, W.R 1991. Fourier-transform far infrared spectroscopy of a C4 bending mode. J. Chem. Phys. 95, 820-823.
Moazzen-Ahmadi, N., Thong, J.J., McKellar, A.R.W. 1994. Infrared diode laser spectroscopy of the 3 fundamental and 3 + 5 - 5 sequence bands of the C radical in a hollow cathode discharge. J. Chem. Phys. 100, 4033-4038.

Rotational structure: linear, non polar

B = 4 979.9 MHz			 = 0

Astrophysical detections: none.

C4N2	C4N2	Dicyanoacetylene

1+g	D∞h

Photodissociation rate:

By quiet Sun at 1 AU:	= 2.0 10-4 s-1 (Krasnopolsky, V.A. 1991. C3 and CN parents in comet P/Halley. Astron. Astrophys. 245, 310-315.)

Vibrational bands:
_________________________________________________________________________
band			S	A	g	mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	+g	2297.	na			CC str.
	+g	2123.	na			CN s str.
	+g	620.	na			CC s str.
	+u	2245.				CN a str.
	+u	1155.				CC a str.
	g	505.	na			bend.
	g	261.	na
	u	472.				bend.
	u	107.
_________________________________________________________________________

Khanna, R.K., Perera-Jarmer, M.A., Ospina, M.J. 1987. Vibrational infrared and Raman spectra of dicyanoacetylene. Spectrochim. Acta A 43, 421-425. (With band strengths in the solid phase.)
Winther, F., Schönhoff, M. 1997. The fundamental vibrations of NC-CC-CN (dicyanoacetylene). J. Mol. Spect. 186, 54-65.

Rotational structure: linear, non-polar.

B = 0.044 587 cm-1			 = 0

Winther, F., Schönhoff, M., Le Prince, R., Guarnieri, A. 1992. The infrared rotation-vibration spectrum of dicyanoacetylene: the ground and 9 = 9 states rotational constants. J. Mol. Spect. 152, 205‑212.

Astrophysical detections: none.

C4O	C4O	Tetracarbon Monoxide

3-	C∞v

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
		(2222.)
		(1923.)
		(1431.)
		(775.)
		(484.)
		
		
		
		
_________________________________________________________________________

Jacox 1990.

Rotational structure: 

B = 2 351.3 MHz		 = (2.6) D

Poynter & Pickett. 64004
Ohshima, Y., Endo, Y., Ogata, T. 1995. Fourier-transform microwave spectroscopy of triplet carbon monoxides, C2O, C4O, C6O, and C8O. J. Chem. Phys. 102, 1493-1500.

Astrophysical detections: none.

C4Si	SiC4	

1+	C∞v

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
		(2080.1)	(7300.)	1100. 	8.1 10-3	C=C str.
		(1837. )	(0.)
		(1164. )	(200.)	8.5	1.4 10-4
		(568. )	(60.)	0.6	2.2 10-5
		(404. )	(16.)	0.08	4.2 10-6
		(236. )	(50.)	0.08	7.5 10-6
		(82. )	(0.)
_________________________________________________________________________

Moazzenahmadi, N., Zerbetto, F. 1989. Circumstellar carbon-chain molecules - prediction of the infrared spectrum of SiC4. Chem. Phys. Lett. 164, 517-519.
Withey, P.A., Graham, W.R.M. 1992. Vibrational spectra of penta-atomic silicon-carbon clusters. I. Linear SiC4 in Ar at 10 K. J. Chem. Phys. 96, 4068-4072.

Rotational structure: linear.

B = 1 533.8 MHz			 = 6.4 D

Cologne 76502

Astrophysical detections:

Planetary atmospheres:	
Comets:
Interstellar medium:	radio (circumstellar envelopes, rot.)
Extragalactic:

Ohishi, M., Kaifu, N., Kawaguchi, K., Murakami, A., Saito, S., Yamamoto, S., Ishikawa, I., Fujita, Y., Shiratori, Y., Irvine, W 1989. Detection of a new circumstellar carbon chain molecule, C4Si. Astrophys. J. 345, L83-L86.

C4H	C4H	Butadiynyl Radical

2	C∞v

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band		s	S	A	g	mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
		(3307.)				CH str.
		(2083.)				CC str.
		(2060.)				CC str.
			
		(735.)	
		
		
_________________________________________________________________________

Jacox 1990.
Shen L.N., Doyle T.J., Graham W.R 1990. Fourier transform spectroscopy of C4H (butadiynyl) in Ar at 10 K: C-H and C=-C stretching modes. J. Chem. Phys. 93, 1597-1603.

Rotational structure: linear.

B = 4 758.7 MHz			 = (0.85) D
 
Poynter & Pickett. 49003
Cologne 49503
Guélin M., Friberg P., Mezaoui A. 1982. Astronomical study of the C3N and C4H radicals: hyperfine interactions and rho-type doubling. Astron. Astrophys. 109, 23-31.
Gottlieb, C.A., Gottlieb, E.W., Thaddeus, P. 1983. Laboratory detection of the C3N and C4H free radicals. Astrophys. J. 275-916-921.
Lovas and Suenram 1989.
Pauzat, F., Ellinger, Y., McLean, A.D. 1991. Is interstellar detection of higher members of the linear radicals CnCN and CnN feasible? Astrophys. J. 369, L13-L16. (dipole moment)

Astrophysical detections:

Planetary atmospheres:	
Comets:
Interstellar medium:	radio (rot.)
Extragalactic:

Guélin M., Green S., Thaddeus P. 1978. Detection of the C4H radical toward IRC+10216. Astrophys. J. 224, L27-L30.

C4H2	HCCCCH	Diacetylene
		Butadiyne

1+g	D∞h

Photodissociation rate:

By quiet Sun at 1 AU:	= 1.5 10-4 s-1 (Krasnopolsky, V.A. 1991. C3 and CN parents in comet P/Halley. Astron. Astrophys. 245, 310-315.)
Interstellar medium:	 = 4.3 10-9 s-1 (Roberge et al. 1991)

Vibrational bands:
_________________________________________________________________________
band			S	A	g	mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	+g	3332.1	na			CH str.
	+g	2188.9	na			CC str.
	+g	872.0	na			C-C str.
	+u	3333.7	488. b)	167. 	7.0 10-4	CH str.
	+u	2022.2	7.4b)	0.9	7.7 10-6	CC str.
	g	625.6	na			CH bend.
	g	482.7	na			CCC bend.
	u	627.9	437. b)	5.3	1.9 10-4	CH bend.
	u	220.0	25. a)	0.019	3.6 10-4	CCC bend.
_________________________________________________________________________

Herzberg III.
Shimanouchi I.
GEISA (8, 9, others).
a) Koops, T., Visser, T., Smit, W.N.A. 1984. The harmonic force field and absolute infrared intensities of diacetylene. J. Mol. Struct. 125, 179-196.
Dang-Nhu, M., Guelachvili, G., Ramsay, D.A. 1991. Absolute line intensities of the 5-m 5 fundamental band of diacetylene. J. Mol. Spect. 146, 513-515.
Guelachvili, G., Craig, A.M., Ramsay, D.A. 1984. High-resolution Fourier studies of diacetylene in the region of the 4 and 5 fundamentals. J. Mol. Spect. 105, 156-192.
Arié, E., Johns, J.W.C. 1992. The bending energy levels of C4H2. J. Mol. Spect. 155, 195-204.
b) Khlifi, M., Paillous, P., Delpech, C., Nishio, M., Bruston, P., Raulin, F. 1995. Absolute IR band intensities of diacetylene in the 250-4300 cm-1 region: implications for Titan's atmosphere.J. Mol. Spect. 174, 116-122.

Rotational structure: linear, non-polar.

B = 4 389.3 MHz			 = 0

Astrophysical detections:

Planetary atmospheres:	IR (rovib. Titan)
Comets:
Interstellar medium:
Extragalactic:

Kunde, V.G., Aikin, A.C., Hanel, R.A., Jennings, D.E. Maguire, W.C., Samuelson, R.E. 1981. C4H2, HC3N and C2N2 in Titan's atmosphere. Nature 292, 686-688.

C4H2	H2CCCC	Butatrienylidene

1A1	C2v

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band		s	S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	a1		
	a1		
	a1		
	a1		
	a1		
	b1		
	b1		
	b1		
	b2	
	b2		
	b2		
	b2	
_________________________________________________________________________

Rotational structure: 

A = 284 985.  MHz			 = (4.5) D
B =   4 503.3 MHz	
C =   4 428.6 MHz	

Cologne 50503
Kilian, T.C., Vrtilek, J, Gottlieb, C.A., Gottlieb, E.W., Thaddeus, P. 1990. Laboratory detection of a second carbon chain carbene: butatrienylidene H2CCCC. Astrophys. J. 365, L89-L92.
Travers, M.J., Wei Chen, Novick, S.E., Vrtilek, J.M., Gottlieb, C.A., Thaddeus, P. 1996. Structure of the cumulene carbene butatrienylidene: H2CCCC. J. Mol. Spect. 180, 75-80.

Astrophysical detections:

Planetary atmospheres:	
Comets:
Interstellar medium:	radio (rot.)
Extragalactic:

Cernicharo, J., Gottlieb, D.A., Guélin, M., Killian, T.C., Thaddeus, P., Vrtilek, J 1991. Astronomical detection of H2CCCC. Astrophys. J. 368, L43-L45.

C4H3N	CH3C3N	Methylcyanoacetylene
		Cyanopropyne

	C3v

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	a1	2938.	35.	9.3	4.7 10-5	CH3 str.
	a1	2271.	260.	41. 	2.9 10-4	CN str.
	a1		
	a1		
	a1	(1160.)	
	a1	642.	31.	0.4	1.2 10-5	CCN str.
	e	2987.	39.	0.2	1.5 10-5	CH3 str.
	e	1445.	150.	4.8	1.2 10-4	CH3 def.
	e	1030.	25.	0.4	1.5 10-5	CH3 rock.
	e	499.	91.	0.3	2.9 10-5	CCN bend.
	e	339.	(100.)	0.2	2.2 10-5	CCC bend.
	e	220.				CCCN bend.
_________________________________________________________________________

Cerceau, F., Raulin, F., Courtin, R., Gautier, D. 1985. Infrared spectra of gaseous mononitriles: application to the atmosphere of Titan. Icarus 62, 207-220.

Rotational structure: prolate symmetric top.

A = MHz				A = 4.75 D
B = C = 2 065.7 MHz

Cologne 65503
Moïses, A., Boucher, D., Burie, J., Demaison, J., Dubrulle, A. 1982. Millimeter-wave spectrum of methylcyanoacetylene. J. Mol. Spect. 92, 497-498.
Boster, M., Tanimoto, M., Vowinkel, B., Winnewisser, G., Yamada, K. 1983. Rotation spectrum of methylcyanoacetylene, a new millimeter wave spectrometer. Z. Naturforsch. 38a, 65-67.

Astrophysical detections:

Planetary atmospheres:	
Comets:
Interstellar medium:	radio (rot.)
Extragalactic:

Broten, N.W., MacLeod, J, Avery, L.W., Irvine, W, Höglund, B., Friberg, P., Hjalmarson, A. 1984. The detection of interstellar methylcyanoacetylene. Astrophys. J. 276, L25-L29.

C4H5N 	CH2CHCH2CN	Allyl Cyanide

	Cs

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	a'	3108.	21. 	6.2	2.9 10-5	CH2 str.
	a'	3038.	26. 	7.4	3.5 10-5	CH str.
	a'		
	a'		
	a'	2263.	6.6	1.0	7.4 10-6	CN str.
	a'	1650.	6.4	0.5	5.7 10-6	CC str.
	a'		
	a'	1431.	69. 	4.4	5.5 10-5	CH2 def.
	a'		
	a'		
	a'		
	a'	
	a'		
	a'		
	a'		
	a'	160.	17. 	0.01	1.8 10-6	CCN bend.
	a"	2939.	21. 	5.6	2.8 10-5	CH2 str. 
	a"	
	a"	987.	85. 	2.6	5.0 10-5	CH wag.
	a"	942.	110. 	with 21	6.2 10-5	CH2 rot.
	a"	930.				CH2 wag.
	a"	557.	64. 	0.6	2.2 10-5	CH wag.
	a"		
	a"	
_________________________________________________________________________

Cerceau, F., Raulin, F., Courtin, R., Gautier, D. 1985. Infrared spectra of gaseous mononitriles: application to the atmosphere of Titan. Icarus 62, 207-220.

Rotational structure:

	 cis		 gauche
A = 	11 322 MHz	19 708 MHz			A = D
B = 	 3 739 MHz	 2 620 MHz			B = D
C = 	 2 859 MHz	 2 859 MHz			C = D

Demaison, J., Burie, J., Boucher, D., Wlodarczak, G. 1991. Analysis of the millimeter-wave spectrum of allyl cyanide. J. Mol. Spect. 146, 455-464.

Astrophysical detections: none.

C4H5N	CH3(CH)2CN	Crotonitrile

	Cs

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	a'		
	a'		
	a'		
	a'		
	a'		
	a'		
	a'		
	a'		
	a'		
	a'		
	a'		
	a'		
	a'		
	a'		
	a'		
	a'		
	a"		
	a"		
	a"		
	a"		
	a"		
	a"		
	a"		
	a"		
_________________________________________________________________________

Cerceau, F., Raulin, F., Courtin, R., Gautier, D. 1985. Infrared spectra of gaseous mononitriles: application to the atmosphere of Titan. Icarus 62, 207-220.

Rotational structure:

cis species:
A = 11 854.4 MHz			A = 3.7 D
B =  3 524.7 MHz			B =  1.6 D
C =  2 759.7 MHz			C = D

trans species:
A = 38 053.4 MHz			A = 4.4 D
B =  2 297.1 MHz			B = D
C =  2 195.2 MHz			C = D

Lesarri, A.G., Cosléou, J., Li, X., Wlodarczak, G., Demaison, J. 1995. Rotational spectra of cis and trans crotonitriles: centrifugal distrosion, hyperfine structure, internal rotation and structure. J. Mol. Spect. 172, 520-535.

Astrophysical detections: none.

C4H5N	CH2CCH3CN	Methacrylonitrile

	Cs

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	a'	3115.	19. 	5.7	2.6 10-5	CH2 str.
	a'		
	a'	3000.	130. 	with 17	1.8 10-4	CH3 str.
	a'		
	a'	2227.	9.5	1.5	1.1 10-5	CN str.
	a'	1635.	61. 	5.0	5.4 10-5	CC str. 
	a'	1453.	50. 	with 18	4.0 10-5	CH3 def.
	a'		
	a'	1385.	32. 	1.9	2.5 10-5	CH3 def.
	a'	1273.	26. 	1.3	1.9 10-5	CCH3 str.
	a'	1018.	12. 	0.4	7.2 10-6	CH3 rot.
	a'		
	a'		
	a'		
	a'		
	a'	191.	11. 	0.01	1.4 10-6	CCN def.
	a"	2976.				CH3 str.
	a"	1453.				CH3 def.
	a"		
	a"	928.	130. 	3.4	7.2 10-5	CH2 wag.
	a"	732.	10. 	0.2	4.5 10-6	CCH2 bend.
	a"	535.	33. 	0.3	1.1 10-5	CCH2 bend.
	a"	274.	0.6	0.001	1.1 10-7	CCN bend.
	a"		
_________________________________________________________________________

Cerceau, F., Raulin, F., Courtin, R., Gautier, D. 1985. Infrared spectra of gaseous mononitriles: application to the atmosphere of Titan. Icarus 62, 207-220.

Rotational structure:

A = 9 291.3 MHz			A = 3.94 D
B = 4 166.4 MHz			B = 0.26 D
C = 2 924.7 MHz

Lopez, J.C., Demaison, J. Gomez, A., Alonso, J.L., Wlodarczak, G. 1990. The rotational spectrum of methacrylonitrile: dipole moment, internal rotation, and centrifugal distorsion. J. Mol. Spect. 141, 317-324.

Astrophysical detections: none.

C5	C5	C5 Radical

3-g	D∞h

Photodissociation rate 

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	+g	(2008.)	na
	+g	(786.)	na
	+u	2169.4a)		500.b)	4 10-3
	+u	1544. b)		
	g	(218.)	na
	u		
	u	(118.)	
_________________________________________________________________________

Jacox 1990.
a) Heath, J.R., Cooksy, A.L., Gruebele, M.H.W., Schmuttenmaer, C.A., Saykally, R.J. 1989. Diode-laser absorption spectroscopy of supersonic carbon cluster beams: the 3 spectrum of C5. Science 244, 564.
b) From Bernath et al 1989.
c) Vala, M., Chandrasekhar, T, Szczeparski, J., Van Zee, R., Weltner, W. Jr. 1989. C5 molecule: structure and infrared frequencies. J. Chem. Phys. 90, 595-596.
Moazzen-Ahmadi, N., McKellar, A.R.W., Amano, T. 1989. Laboratory observation of the rotation-vibration spectrum pf gas-phase C5. Chem. Phys. Lett. 157, 1-4.
Moazzen-Ahmadi, N., McKellar, A.R.W., Amano, T. 1989. Diode laser spectroscopy of gas phase C5: the 3 fundamental and associated hot bands. J. Chem. Phys. 91, 2140-2147.
Moazzen-Ahmadi, N., Flatt, J.D., McKellar, A.R.W. 1991. Diode laser spectroscopy of the 3 band of 13C5. Chem. Phys. Lett. 186, 291. (With B for 12C5.)
Botswina, P. 1994. The equilibrium geometry and some spectroscopic constants of C5 from large-scale ab initio calculations. J. Chem. Phys. 101, 853-854.

Rotational structure: linear, non-polar.

B = 2 548.7 MHz			 = 0

Astrophysical detections:

Planetary atmospheres:	
Comets:
Interstellar medium:	circumstellar envelopes, IR (rovib.)
Extragalactic:

Bernath, P.F., Hinkle, K.H., Keady, J.J. 1989. Detection of C5 in the circumstellar shell of IRC+10216. Science 244, 562. (And references therein.)

C5N	C5N	Cyanobutadiynyl Radical

2	C∞v

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
		
		
		
		
		
		
		
		
		
		
		
		
_________________________________________________________________________

Rotational structure: linear.

B = 1 403.1 MHz			 = (3.38) D

Cologne 74501
Kasai, Y., Sumiyoshi, Y., Endo, Y., Kawaguchi, K. 1998. Laboratory detection of the C5N radical by Fourier transform microwave spectroscopy. Astrophys. J. 477, L65-L67.

Astrophysical detections:

Planetary atmospheres:	
Comets:	
Interstellar medium:	radio (rot.)
Extragalactic:

Guélin, M., Neininger, N., Cernicharo, J. 1998. Astronomical detection of the cyanobutadiynyl radical C5N. Astron. Astrophys. 335, L1-L4.

C5O	C5O	Pentacarbon Monoxide

1+	C∞v

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
		
		
		
		
		
		
		
		
		
		
		
		
_________________________________________________________________________

Rotational structure: linear.

B = 1 366.8 MHz			 = (4.06) D

Poynter & Pickett. 76010
Defrees, D.J., McLean, A.D. 1989. A priori predictions of the rotational constants for HC13N, HC15N, and C5O. Chem. Phys. Lett. 158, 540-544.
Ogata, T., Oshima, Y., Endo, Y. 1995. J. Am. Chem. Soc. 117, 3593

Astrophysical detections:

Planetary atmospheres:	
Comets:	
Interstellar medium:	radio (rot., tentative)
Extragalactic:

Turner, B.E. 1990. In Chemistry and Spectroscopy of Interstellar Molecules. Ed. N. Kaifu, Univ. of Tokyo Press. (Tentative detection.)

C5S	C5S	

	C∞v

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
		
		
		
		
		
		
		
		
		
		
		
		
_________________________________________________________________________

Rotational structure: linear.

B = MHz				 =  D

Astrophysical detections:

Planetary atmospheres:	
Comets:	
Interstellar medium:	radio (rot., tentative)
Extragalactic:

Bell, M.P., Avery, L.W., Feldman, P.A. 1993. C3S and C5S in IRC +10216. Astrophys. J. 417, L37-L40. (Tentative detection of C5S.)

C5H	C5H	Pentynylidyne Radical

2r	C∞v 

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band		a)	S	A	g	mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
		
	
	
	
		
		
	
		
		
_________________________________________________________________________

Rotational structure: linear.

B = 2 395.1 MHz			 = (4.49) D

Gottlieb, C.A., Gottlieb, E.W., Thaddeus, P. 1986. Laboratory detection of the C5H radical. Astron. Astrophys. 164, L5-L6.
Pauzat, F., Ellinger, Y., McLean, A.D. 1991. Is interstellar detection of higher members of the linear radicals CnCN and CnN feasible? Astrophys. J. 369, L13-L16. (dipole moment)

Astrophysical detections:

Planetary atmospheres:	
Comets:
Interstellar medium:	radio (rot.)
Extragalactic:

Cernicharo, J., Kahane, C., Gomez-Gonzalez, J., Guélin, M. 1986. Tentative detection of the C5H radical. Astron. Astrophys. 164, L1-L4.
Cernicharo, J., Guélin, M., Walmsley, C 1987. Detection of the hyperfine structure of the C5H radical. Astron. Asttrophys. 172, L5-L6. (Confirmation.)

C5HN	HC5N	Cyanobutadiyne
		Cyanodiacetylene

	C∞v

Photodissociation rate 

Vibrational bands:
_________________________________________________________________________
band		s	S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
			
			
			
			
			
			
		685.a)		4.7a)	2.7 10-4
		566.a)		0.93a)	6.6 10-5
		463.a)		0.0013a)	1.1 10-7
		251.a)		0.080a)	1.3 10-5
		104.a)		0.00015a)	6.2 10-8
_________________________________________________________________________

a) Deguchi, S., Uyemura, M. 1984. Infrared pumping for HCN in the circumstellar envelope of IRC+10216. Astrophys. J. 285, 153 (ab initio calculations)

Rotational structure: linear.

B = 1 331.33 MHz			 = (4.330) D

Poynter & Pickett. 75001

Astrophysical detections:

Planetary atmospheres:	
Comets:
Interstellar medium:	radio (rot.)
Extragalactic:

Avery, L.W., Broten, N.W., MacLeod, J, Oka, T. 1976. Detection of the heavy interstellar molecule cyanodiacetylene. Astrophys. J. 205, L173-L175.

C5H2	C5H2	Pentatetraenylidene

1A

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	
	
	

_________________________________________________________________________

Rotational structure: 

A = 277600.   MHz
B =    2304.8 MHz			 = (5.9) D
C =    2285.8 MHz

Cologne 62501
McCarthy, M.C., Travers, M.J., Kovacs, A., Chen, W., Novick, S.E., Gottlieb, C.A., Thaddeus, P. 1997. Detection and characterization of the cumulene carbenes H2C5 and H2C6. Science 275, 518.
McCarthy, M.C., Travers, M.J., Kovacs, A., Gottlieb, C.A., Thaddeus, P. 1997. Eight new carbon chain molecules. Astrophys. J. Supl. Series 113, 105-120.
Gottlieb, C.A., McCarthy, M.C., Gordon, V.D., Chakan, J.M., Apponi, A.J., Thaddeus, P. 1998. Laboratory detection of two new C5H2 isomers. Astrophys. J. 509, L41-L44.

Astrophysical detections: none

C5H4	CH3C4H	Methyldiacetylene

	C3v

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	a1
	a1
	a1
	a1
	a1	
	a1	
	e
	e
	e
	e
	e	
	e	
_________________________________________________________________________

Rotational structure: prolate symmetric top.

A = 2 035.7 MHz			 = 1.207 D
B = C =  MHz

Bester, M., Yamada, K., Winnewisser, G., Joentgen, W., Altenbach, H.-J., Vogel, E. 1984. Millimeter wave spectrum of methyldiacetylene, CH3C4H. Astron. Astrophys. 137, L20-L22.

Astrophysical detections:

Planetary atmospheres:	
Comets:
Interstellar medium:	radio (rot.)
Extragalactic:

Walmsley, C, Jewell, P.R., Snyder, L.E., Winnewisser, G. 1984. Detection of interstellar methyldiacetylene (CH3C4H) in the dark dust cloud TMC1. Astron. Astrophys. 134, L11-L14.

C6	C6	C6 Radical

	D∞h

Photodissociation rate 

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	+g	
	+g
	+g
	+u	
	+u
	g	
	g	
	u		
	u
_________________________________________________________________________

Rotational structure: linear, non-polar.

B =  MHz			 = 0

Astrophysical detections: none

C6H	C6H	Hexatriynyl Radical

2i	C∞v 

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	
	
	
		(1953.4)				CC str.
		
		
	
	
	
	
		
_________________________________________________________________________

Doyle, T.L., Shen, L.N., Rittby, CL., Graham, W.R 1991. A CC stretching vibration of the C6H (hexatriynyl) radical in Ar at 10 K. J. Chem. Phys. 95, 6224-6228.
Liu, R., Zhou, X., Pulay, P. 1992. Ab initio study of the geometry, stretching, vibrations and assigments of the observed frequencies of the ground state of C6H (hexatriynyl) radical. J. Chem. Phys. 97, 1602-1605.

Rotational structure: linear.

B = 1 391.2 MHz			 = (4.79) D

Cernicharo, J., Guélin, M., Menten, K, Walmsley, C 1987. C6H: astronomical study ot its fine and hyperfine structure. Astron. Astrophys. 181, L1-L4.
Pearson, J.C., Gottlieb, C.A., Woodward, D.R., Thaddeus, P. 1988. Laboratory detection of the C6H radical. Astron. Astrophys. 189, L13-L15.
Pauzat, F., Ellinger, Y., McLean, A.D. 1991. Is interstellar detection of higher members of the linear radicals CnCN and CnN feasible? Astrophys. J. 369, L13-L16. (dipole moment)

Astrophysical detections:

Planetary atmospheres:	
Comets:
Interstellar medium:	radio (rot.)
Extragalactic:

Suzuki, H., Ohishi, M., Kaifu, N., Ishikawa, S., Kasuga, T. 1986. Detection of the interstellar C6H radical. Publ. Astron. Soc. Japan 38, 911-917.
Guélin, M., Cernicharo, J., Kahane, C., Gomez-Gonzales, J., Walmsley, C 1987. Detection of a heavy radical in IRC+10216: the hexatriynyl radical C6H ? Astron. Astrophys. 175, L5-L6.

C6H2	HC6H	Triacetylene

1+g	D∞h

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	+g	3313. 	na
	+g	2201. 	na
	+g	2019. 	na
	+g	625. 	na
	+u	3329.1	
	+u	2128.9	
	+u	1115. 	
	g	622.4	na
	g	481. 	na
	g	258. 	na
	u	621.3	
	u	443. 	
	u	105.0	
_________________________________________________________________________

McNaughton, D., Bruget, D.N. 1991. The high-resolution infrared spectrum of triacetylene. J. Mol. Spect. 150, 620-634.
Matsumura, K., Kawaguchi, K., McNaughton, D., Bruget, D.N. 1993. High-resolution infrared spectroscopy of the 5 band of triacetylene. J. Mol. Spect. 158, 489-493.
Haas, S., Yamada, K.M.T., Winnewisser, G. 1994. High-resolution Fourier transform spectrum of the 13 fundamental band of triacetylene in the far-infrared region. J. Mol. Spect. 164, 445-455.
Haas, S., Winnewisser, G., Yamada, K.M.T., Matsumura, K., Kawaguchi, K. 1994. The high resolution spectra of the 11 band of triacetylene near 622 cm-1: revised assignment of hot bands. J. Mol. Spect. 167, 176-190.

Rotational structure: linear, non-polar.

B = 0.044 170 88 cm-1		 = 0

Astrophysical detections: none.

C6H2	C6H2	Hexapentaenylidene

1A

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	
	
	

_________________________________________________________________________

Rotational structure: almost linear.

A = 268400.  MHz
B =   1348.1 MHz			 = (6.2) D
C =   1341.3 MHz

Cologne 74502
Maluendes, S.A., McLean, A.D. 1992. XXX Chem. Phys. Lett. 200, 51. (Dipolar moment)
McCarthy, M.C., Travers, M.J., Kovacs, A., Chen, W., Novick, S.E., Gottlieb, C.A., Thaddeus, P. 1997. Detection and characterization of the cumulene carbenes H2C5 and H2C6. Science 275, 518.
McCarthy, M.C., Travers, M.J., Kovacs, A., Gottlieb, C.A., Thaddeus, P. 1997. Eight new carbon chain molecules. Astrophys. J. Supl. Series 113, 105-120.

Astrophysical detections:

Planetary atmospheres:	
Comets:
Interstellar medium:	radio (rot.)
Extragalactic:

Langer, W.D., Velusamy, T., Kuiper, T.B.H., Peng, R., McCarthy, M.C., Traers, M.J., Kovacs, A., Gottlieb, C.A., Thaddeus, P. 1997. First astronomical detection of the cumulene carbon chain molecule H2C6 in TMC-1. Astrophys. J. 480, L63-L66.

C6H3N	CH3C5N	Hexa-2,4-diynenitrile

	C3v

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	a1
	a1
	a1
	a1
	a1	
	a1	
	a1	
	a1	
	e
	e
	e	
	e
	e	
	e
	e	
	e
_________________________________________________________________________

Rotational structure: prolate symmetric top.

A = MHz				A = D
B = C = 778.0 MHz

Landolt-Börnstein 1982.

Astrophysical detections: none.

C6H6	C6H6	Benzene

1A1g	D6h

Photodissociation rate:

By quiet Sun at 1 AU: = 1.110-3 s-1 (Crovisier, J.1994. Photodestruction rates for cometary parent molecules. J. Geoph. Res. Planets 99, 3777-3781)

Vibrational bands:
_________________________________________________________________________
banda)		b)	Sc)	A	g	mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	a1g	3073.9	na			CH str.
	a1g	993.1	na			ring str.
	a2g	1350. 	na			CH bend.
	a2u	673.5	250.	3.5	1.0 10-4	CH bend.
	b1u	3057. 	na			CH str.
	b1u	1010. 	na			ring def.
	b2g	990. 	na			CH bend.
	b2g	707. 	na 			ring def.
	b2u	1309.8	na			ring str.
	b2u	1148.5	na			CH bend.
	e1g	846. 	na			CH bend.
	e1u	3047.9	146.	21. 	2.0 10-4	CH str.
	e1u	1483. 	56.	1.9	4.6 10-5	ring str. + def.
	e1u	1037.5	33.	0.5	2.0 10-4	CH bend.
	e2g	3056.7	na			CH str.
	e2g	1609.5	na			ring str.
	e2g	1177.8	na			CH bend.
	e2g	608.1	na			ring def.
	e2u	967. 	na			CH bend.
	e2u	398. 	na			ring def.
_________________________________________________________________________

a) Herzberg III.
Shimanouchi I.
b) Dang-Nhu, M., Pliva, J. 1989. Intensities in the 4, 12, 13, and 14 bands of benzene. J. Mol. Spect. 138, 423-429.
c) Raulin, F., Accaoui, B., Razaghi, A., Dang-Nhu, M., Coustenis, A., Gautier, D. 1990. Infrared spectra of gazeous organics: application to the atmosphere of Titan. II. Infrared intensities and frequencies of C4 alkanenitriles and benzene. Spectrochim. Acta 46A (5), 671-683.
Holenstein, H., Piccirillo, S., Quach, M., Snels, M. 1990. High-resolution infrared spectrum and analysis of the 11, A2u (B2) fundamental band of 12C6H6 and 13C12C5H6. Mol. Phys. 71, 759‑768. (4 in the present notation.)
Domenech, J.L., Junttila, M.-L., Pine, A.S. 1991. Molecular-beam spectrum of the 3.3-m 12 band of benzene. J. Mol. Spect. 149, 391-398.
Khlifi,M., Raulin, F., Dang-Nhu, M. 1992. Benzene 4 integrated band intensity versus temperature. J. Mol. Spect. 154, 235-239.
Parmenter, C.S. 1972. Radiative and nonradiative processes in benzene. Adv. Chem. Phys. 22, 365‑421. (A review.)

Rotational structure: oblate planar, symmetric top, non polar.

A = B = 5 689.2 MHz
C = 2 843.7 MHz			 = 0

C6H6	C6H6	(continued)

Astrophysical detections: 

Planetary atmospheres:	IR (vib., Jupiter, Saturn)
Comets:
Interstellar medium:	IR (vib.)
Extragalactic:

Cernicharo, J., Heras, A.M., Tielens, A.G.G.M., Pardo, J.R., Herpin, F., Guélin, M., Waters, L.B.F.M. 2001. Infrared Space observatory's discovery of C4H2, C6H2, and benzene in CRL 618. Astrophys. J. 546, L123-L126.

C7	C7	C7 Radical

	D∞h

Photodissociation rate 

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	+g	
	+g
	+g
	+u	2128.
	+u	1894.
	+u
	g	
	g		
	u
	u
	u
_________________________________________________________________________

Kranze, R.H., Rittby, C.M.L., Graham, W.R.M. 1996. Fourier transform infrared and theoretical isoptopoc study of the 4(u) and 5(u) modes of linear C7. J. Chem. Phys. 105, 5313-5320.

Rotational structure: linear, non-polar.

B =  MHz			 = 0

Astrophysical detections: none

C7H	C7H	 Heptatriynylidyne

2i	C∞v 

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	

	

_________________________________________________________________________

Rotational structure: linear.

A = 769 735. MHz
B =  875.484 MHz			 = (5.09) D

Cologne 85501
Pauzat, F., Ellinger, Y., McLean, A.D. 1991. Is interstellar detection of higher members of the linear radicals CnCN and CnN feasible? Astrophys. J. 369, L13-L16. (dipole moment)
Travers, M.J., McCarthy, M.C., Gottlieb, C.A., Thaddeus, P. 1996. Laboratory detection of the C7H radical.  Astrophys. J. 465, L77-L80.
McCarthy, M.C., Travers, M.J., Kovacs, A., Gottlieb, C.A., Thaddeus, P. 1997. Eight new carbon chain molecules. Astrophys. J. Supl. Series 113, 105-120.

Astrophysical detections:

Planetary atmospheres:	
Comets:
Interstellar medium:	radio (rot.)
Extragalactic:

Guélin, M., Cernicharo, J., Travers, M.J., McCarthy, M.C., Gottlieb, C.A., Thaddeus, P., Ohishi, M. Saito, S., Yamamoto, S. 1997. Detection of a new linear carbon chain radical: C7H. Astron. Astrophys. 317, L1-L4.

C7HN	HC7N	Cyanohexatriyne

	C∞v

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
			
			
			
			
			
			
			
			
			
			
			
			
			
			
			
_________________________________________________________________________

Rotational structure: linear.

B = 564.0 MHz			 = (4.82) D

Poynter & Pickett. 99002
Cologne 99501

Astrophysical detections:

Planetary atmospheres:	
Comets:
Interstellar medium:	radio (rot.)
Extragalactic:

Kroto, H.W., Kirby, C., Walton, D.R, Avery, L.W., Broten, N.W., MacLeod, J, Oka, T. 1978. The detection of cyanohexatriyne, H(CC)3CN, in Heiles's cloud 2. Astrophys. J. 219, L133-L137.

C8	C8	C8 Radical

	D∞h

Photodissociation rate 

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	+g	
	+g
	+g	
	+g
	+u	
	+u
	+u
	g	
	g	
	g	
	u		
	u
	u
_________________________________________________________________________

Rotational structure: linear, non-polar.

B =  MHz			 = 0

Astrophysical detections: none

C8H	C8H	 Octatetraynyl

2i	C∞v 

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	

	

_________________________________________________________________________

Rotational structure: linear.

B =  587.264 MHz			 = (5.26) D

Cologne 97501
Pauzat, F., Ellinger, Y., McLean, A.D. 1991. Is interstellar detection of higher members of the linear radicals CnCN and CnN feasible? Astrophys. J. 369, L13-L16. (dipole moment)
McCarthy, M.C., Travers, M.J., Kovacs, A., Gottlieb, C.A., Thaddeus, P. 1996. Laboratory detection of the C8H radical.  Astron. Astrophys. 309, L31-L33.
McCarthy, M.C., Travers, M.J., Kovacs, A., Gottlieb, C.A., Thaddeus, P. 1997. Eight new carbon chain molecules. Astrophys. J. Supl. Series 113, 105-120.

Astrophysical detections:

Planetary atmospheres:	
Comets:
Interstellar medium:	radio (rot.)
Extragalactic:

Cernicharo, J., Guélin, M. 1996. Discovery of the C8H radical.  Astron. Astrophys. 309, L27-L30.

C9	C9	C9 Radical

	D∞h

Photodissociation rate 

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	+g	
	+g
	+g	
	+g
	+u	2080.
	+u	2014.
	+u	
	+u
	g	
	g	
	g	
	u		
	u
	u		
	u
_________________________________________________________________________

Van Orden, A., Provencal, R.A., Keutsch, F.N., Saykally, R.J. 1996. Infrared laser spectroscopy of jet-cooled carbon clusters: the 5 band of linear C9. J. Mol. Spect. 105, 6111-6116.

Rotational structure: linear, non-polar.

B =  MHz			 = 0

Astrophysical detections: none

C9H	C9H	 Nonatetraynylidyne

2i	X 

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	

	

_________________________________________________________________________

Rotational structure: linear.

A = 750 000. MHz
B =  413.258 MHz			 = (9.5) D

Cologne 109501
McCarthy, M.C., Travers, M.J., Kalmus, P., Gottlieb, C.A., Thaddeus, P. 1996. Laboratory detection of the C9H radical.  Astrophys. J. 467, L125-127.
McCarthy, M.C., Travers, M.J., Kovacs, A., Gottlieb, C.A., Thaddeus, P. 1997. Eight new carbon chain molecules. Astrophys. J. Supl. Series 113, 105-120.

Astrophysical detections: none

C9HN	HC9N	Cyanooctatetrayne

	C∞v

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
			
			
			
			
			
			
			
			
			
			
			
			
			
			
			
			
			
			
			
_________________________________________________________________________

Rotational structure: linear.

B = 290.518 MHz			 = (5.20) D

Poynter & Pickett. 123001
Cologne 123501
Iida, M., Ohshima, Y., Endo, Y. 1991. Laboratory detection of HC9N using a Fourier transform microwave spectrometer. Astrophys. J. 371, L45-L46.

Astrophysical detections:

Planetary atmospheres:	
Comets:
Interstellar medium:	radio (rot.)
Extragalactic:

Broten, N.W., Oka, T., Avery, L.W., MacLeod, J, Kroto, H.W. 1978. The detection of HC9N in interstellar space. Astrophys. J. 223, L105-L107.

C10H	C10H	 Decapentaynyl

2i	X 

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	

	

_________________________________________________________________________

Rotational structure: linear.

B =  301.388 MHz			 = (7.5) D

Cologne 121501

Astrophysical detections: none

C11H	C11H	 Radical

2i	X 

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
	

	

_________________________________________________________________________

Rotational structure: linear.

A = 750000.  MHz
B =    226.9 MHz			 =  D

McCarthy, M.C., Travers, M.J., Kovacs, A., Gottlieb, C.A., Thaddeus, P. 1997. Eight new carbon chain molecules. Astrophys. J. Supl. Series 113, 105-120.

Astrophysical detections: none

C11HN	HC11N	Cyanodecapentayne

1+	C∞v

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
			
			
			
			
			
			
			
			
			
			
			
			
			
			
			
			
			
			
			
			
			
			
			
_________________________________________________________________________

Rotational structure: linear.

B = 169.063 MHz			 = (6.2) D

Poynter & Pickett. 147001 
Travers, M.J., McCarthy, M.C., Kalmus, P., Gottlieb, C.A., Thaddeus, P. 1996. Laboratory detection of the linear cyanopolyine HC11N. Astrophys. J. 469, L65-L68.
McCarthy, M.C., Travers, M.J., Kovacs, A., Gottlieb, C.A., Thaddeus, P. 1997. Eight new carbon chain molecules. Astrophys. J. Supl. Series 113, 105-120.

Astrophysical detections:

Planetary atmospheres:	
Comets:
Interstellar medium:	radio (rot.)
Extragalactic:

Bell, M.B., Feldman, P.A., Kwok, S., Matthews, H.E. 1982. Detection of HC11N in IRC+10216. Nature 295, 389-391. (Erroneous identification: see Travers et al. 1996.)
Bell, M.B., Feldman, P.A., Travers, M.J., McCarthy, M.C., Gottlieb, C.A., Thaddeus, P. 1997. Detection of HC11N in the cold dust cloud TMC-1. Astrophys. J. 483, L61-L64.

C13HN	HC13N	

1+	C∞v

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
			

			

_________________________________________________________________________

Rotational structure: linear.

B = 106.973 MHz			 =  D

McCarthy, M.C., Travers, M.J., Kovacs, A., Gottlieb, C.A., Thaddeus, P. 1997. Eight new carbon chain molecules. Astrophys. J. Supl. Series 113, 105-120.

Astrophysical detections: none

C15HN	HC15N	

1+	C∞v

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
			

			

_________________________________________________________________________

Rotational structure: linear.

B = 71.950 MHz			 =  D

McCarthy, M.C., Grabows, J.-U., Travers, M.J., Chen, W., Gottlieb, C.A., Thaddeus, P. 1998. Laboratory detection of the carbon chains HC15N and  HC17N. Astrophys. J. 494, L231-L234.

Astrophysical detections: none

C17HN	HC17N	

1+	C∞v

Photodissociation rate:

Vibrational bands:
_________________________________________________________________________
band			S	A	g	         mode
		cm-1	cm-2 atm-1	s-1	s-1
_________________________________________________________________________
			

			

_________________________________________________________________________

Rotational structure: linear.

B = 50.703 MHz			 =  D

McCarthy, M.C., Grabows, J.-U., Travers, M.J., Chen, W., Gottlieb, C.A., Thaddeus, P. 1998. Laboratory detection of the carbon chains HC15N and  HC17N. Astrophys. J. 494, L231-L234.

Astrophysical detections: none