AlCl AlCl Aluminium Chloride 1_+ Cƒv 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_+ Cƒv 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_+ Cƒv 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_+ Cƒv 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_+ Cƒv 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_+ Cƒv 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_+ Cƒv 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_+ Cƒv 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_+ Cƒv 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_+ Cƒv 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_+ Cƒv 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_+ Cƒv 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_+ Cƒv 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 Cƒv 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_+ Cƒv 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 Cƒv 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 Cƒv 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_+ Cƒv 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_+ Cƒv 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_+ Cƒv 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_+ Cƒv 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_+ Cƒv 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__ Cƒv 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_- Cƒv 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 Cƒv 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 Cƒv 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 Cƒv 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_+ Cƒv 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 Cƒv 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 Cƒv 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 Cƒv 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_- Cƒv 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_+ Cƒv 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_- Cƒv 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 Cƒv 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_- Cƒv 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 Cƒv 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 Dƒh 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 Cƒv 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_+ Cƒv 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_+ Cƒv 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 Cƒv 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_+ Cƒv 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_+ Cƒv 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 Cƒv 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_+ Cƒv 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 Dƒh 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 Dƒh 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_+ Cƒv 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 Cƒv 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 Cƒv 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_- Cƒv 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 Cƒv 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_+ Cƒv 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_+ Cƒv 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 Cƒv 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 Dƒh 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 Cƒv 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_+ Cƒv 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 Dƒh 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__ Cƒv 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 Cƒv 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__ Cƒv 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__ Cƒv 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_+ Cƒv 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_ Cƒv 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_ Cƒv 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_ Cƒv 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_ Cƒv 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 Dƒh 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_+ Cƒv 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__ Cƒv 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_+ Cƒv 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 Dƒh 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 Dƒh 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__ Cƒv 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__ Cƒv 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__ Cƒv 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 Dƒh 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 Cƒv 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 Cƒv 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_+ Cƒv 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_+ Cƒv 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_+ Cƒv 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 Cƒv 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_+ Cƒv 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_+ Cƒv 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_+ Cƒv 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 Cƒv 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 Cƒv 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 Dƒh 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_ Cƒv 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 Dƒh 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_- Cƒv 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 __- Cƒv 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_+ Cƒv 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_ Cƒv 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_- Cƒv 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__ Cƒv 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_ Cƒv 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_ Cƒv 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 Dƒh 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 Dƒh 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_+ Cƒv 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__ Cƒv 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 Dƒh 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_+ Cƒv 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 Cƒv 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 Cƒv 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 Cƒv 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 Cƒv 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 Cƒv 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 Cƒv 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 Dƒh 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 Dƒh 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_- Cƒv 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_+ Cƒv 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_ Cƒv 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 Dƒh 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 Dƒh 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_ Cƒv 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_+ Cƒv 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 Cƒv 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 Cƒv 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 Cƒv 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 Dƒh 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 Cƒv 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 Dƒh 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 Dƒh 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 Cƒv 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 Cƒv 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 Dƒh 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 Cƒv 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 Dƒh 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 Cƒv 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_+ Cƒv 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_+ Cƒv 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_+ Cƒv 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_+ Cƒv 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 1 molecular data 4.2 (May 2002) 9/04/02