Review of OCS gas-phase reactions in dark cloud chemical models
Corresponding Author
Jean-Christophe Loison
Univ. Bordeaux, ISM, UMR 5255, F-33400 Talence, France
CNRS, ISM, UMR 5255, F-33400 Talence, France
E-mail: [email protected]Search for more papers by this authorPhilippe Halvick
Univ. Bordeaux, ISM, UMR 5255, F-33400 Talence, France
CNRS, ISM, UMR 5255, F-33400 Talence, France
Search for more papers by this authorAstrid Bergeat
Univ. Bordeaux, ISM, UMR 5255, F-33400 Talence, France
CNRS, ISM, UMR 5255, F-33400 Talence, France
Search for more papers by this authorKevin M. Hickson
Univ. Bordeaux, ISM, UMR 5255, F-33400 Talence, France
CNRS, ISM, UMR 5255, F-33400 Talence, France
Search for more papers by this authorValentine Wakelam
Univ. Bordeaux, LAB, UMR 5804, F-33270 Floirac, France
CNRS, LAB, UMR 5804, F-33270 Floirac, France
Search for more papers by this authorCorresponding Author
Jean-Christophe Loison
Univ. Bordeaux, ISM, UMR 5255, F-33400 Talence, France
CNRS, ISM, UMR 5255, F-33400 Talence, France
E-mail: [email protected]Search for more papers by this authorPhilippe Halvick
Univ. Bordeaux, ISM, UMR 5255, F-33400 Talence, France
CNRS, ISM, UMR 5255, F-33400 Talence, France
Search for more papers by this authorAstrid Bergeat
Univ. Bordeaux, ISM, UMR 5255, F-33400 Talence, France
CNRS, ISM, UMR 5255, F-33400 Talence, France
Search for more papers by this authorKevin M. Hickson
Univ. Bordeaux, ISM, UMR 5255, F-33400 Talence, France
CNRS, ISM, UMR 5255, F-33400 Talence, France
Search for more papers by this authorValentine Wakelam
Univ. Bordeaux, LAB, UMR 5804, F-33270 Floirac, France
CNRS, LAB, UMR 5804, F-33270 Floirac, France
Search for more papers by this authorABSTRACT
The association reaction S + CO OCS + hν has been identified as being particularly important for the prediction of gas-phase OCS abundances by chemical models of dark clouds. We performed detailed ab initio calculations for this process in addition to undertaking an extensive review of the neutral–neutral reactions involving this species which might be important in such environments. The rate constant for this association reaction was estimated to be several orders of magnitude smaller than the one present in current astrochemical data bases. The new rate for this reaction and the introduction of other processes, notably OH + CS
OCS + H and C + OCS
CO + CS, dramatically change the OCS gas-phase abundance predicted by chemical models for dark clouds. The disagreement with observations in TMC-1 (CP) and L134N (N) suggests that OCS may be formed on grain surfaces as is the case for methanol. The observation of solid OCS on interstellar ices supports this hypothesis.
REFERENCES
- Adriaens D. A., Goumans T. P. M., Catlow C. R. A., Brown W. A., 2010, J. Phys. Chem. C, 114, 1892
- Atkinson R. et al., 2004, Atmos. Chem. Phys., 4, 1461
- Baulch D. L. et al., 1992, J. Phys. Chem. Ref. Data, 21, 411
- Baulch D. L. et al., 2005, J. Phys. Chem. Ref. Data, 34, 757
- Bayes K. D., 1970, J. Chem. Phys., 52, 1093
- Becker K. H., Kurtenbach R., Schmidt F. P. W., 1997, Ber. Bunsenges. Physik. Chem., 101, 128
- Becker K. H., Kurtenbach R., Schmidt F. P. W., 2000, Combust. Flame, 120, 570
- Bergeat A., Calvo T., Caralp F., Fillion J. H., Dorthe G., Loison J. C., 2001, Faraday Discuss., 119, 67
- Bergeat A., Moisan S., Méreau R., Loison J.-C., 2009, Chem. Phys. Lett., 480, 21
- Black G., Jusinski L. E., Slanger T. G., 1983, Chem. Phys. Lett., 102, 64
- Bocherel P., Herbert L. B., Rowe B. R., Sims I. R., Smith I. W. M., Travers D., 1996, J. Phys. Chem., 100, 3063
- Campomanes P., Menandez I., Sordo T., 2000, J. Phys. Chem. A, 105, 229
- Charnley S. B., 1997, ApJ, 481, 396
- Cox J. D., Wagman D. D., Medvedev V. A., 1989, CODATA Key Values for Thermodynamics. Hemisphere Publishing Corporation, New York
- Deeyamulla M. P., Husain D., 2006, J. Photochem. Photobiol. A Chem., 184, 347
- Dorthe G., Caubet P., Vias T., Barrère B., Marchais J., 1991, J. Phys. Chem., 95, 5109
- Eland J. H. D., Berkowitz J., 1979, J. Chem. Phys., 70, 5151
- Gao Y., Macdonald R. G., 2003, J. Phys. Chem. A., 104, 4625
- Garand E., Yacovitch T. I., Neumark D. M., 2008, J. Chem. Phys., 129, 074312
- Garrod R. T., Wakelam V., Herbst E., 2007, A&A, 467, 1103
- Georgievskii Y., Klippenstein S. J., 2005, J. Chem. Phys., 122, 194103
- Gonzalez M., Hijazo J., Novoa J. J., Sayos R., 1996, J. Chem. Phys., 105, 10999
- Gurvich L. V., Veyts I. V., Alcock C. B., 1989, Thermodynamic Properties of Individual Substances, 4th edn. Hemisphere Publishing Corporation, New York
- Hatchell J., Thompson M. A., Millar T. J., Macdonald G. H., 1998, A&A, 338, 713
- Herron J. T., Huie R. E., 1980, Chem. Phys. Lett., 76, 322
- Herzberg G., 1966, Electronic Spectra and Electronic Structure of Polyatomic Molecules. Van Nostrand Reinhold Company, New York
- Hijazo J., Gonzalez M. R. S., Novoa J. J., 1994, Chem. Phys. Lett., 222, 15
- Huang C., Zhao D., Pei L., Chen C., Chen Y., 2004, Chem. Phys. Lett., 389, 230
- Huang M.-B., Chen B.-Z., Wang Z.-X., 2002, J. Phys. Chem A, 106, 5490
-
Huber K. P.,
Herzberg G., 1979, Molecular Spectra and Molecular Structure IV. Constants of Diatomic Molecules. Van Nostrand Reinhold Company,
New York
10.1007/978-1-4757-0961-2 Google Scholar
- Kaiser R. I., Yamada M., Osamura Y., 2002, J. Phys. Chem. A, 106, 4825
- Lee J. H., Stief L. J., Timmons R. B., 1977, J. Chem. Phys., 67, 1705
- Lilenfeld H. V., Richardson R. J., 1977, J. Chem. Phys., 67, 3991
- Murrell J. N., Guo H., 1987, J. Chem. Soc. Faraday Trans. II, 83, 683
- Murrells T. P., Lovejoy E. R., Ravishankara A. R., 1990, J. Phys. Chem., 94, 2381
- Ohishi M., Irvine W. M., Kaifu N., 1992, in P. D. Singh, ed., Proc. IAU Symp. 150, Astrochemistry of Cosmic Phenomena. Kluwer, Dordrecht , p. 171
- Palumbo M. E., Geballe T. R., Tielens A. G. G. M., 1997, ApJ, 479, 839
- Park J., Hershberger J. F., 1998, Chem. Phys. Lett., 295, 89
- Petrie S., 1996, MNRAS, 281, 666
- Prasad S. S., Huntress W. T., 1980, ApJ, 43, 1
- Pratap P., Dickens J. E., Snell R. L., Miralles M. P., Bergin E. A., Irvine W. M., Schloerb F. P., Charnley S. B., 1997, ApJ, 486, 862
- Ralchenko Y., Kramida A. E., Reader J., NIST ASD Team, 2006, NIST Atomic Spectra Database (version 4.0.1), [Online]. Available: http://physics.nist.gov/asd [Wednesday, 18-Jan-2012 07:02:36 EST]. National Institute of Standards and Technology, Gaithersburg , MD
- Reisler H., Mangir M. S., Wittig C., 1980, J. Chem. Phys., 73, 2280
- Rice B. M., Chabalowski C. F., 1994, J. Phys. Chem., 98, 9488
- Rice B. M., Cartland H. E., Chabalowski C. F., 1993, Chem. Phys. Lett., 211, 283
- Ruscic B., Pinzon R. E., Morton M. L., Srinivasan N. K., Su M.-C., Sutherland J. W., Michael J. V., 2006, J. Phys. Chem. A, 110, 6592
- Sayos R., Gonzalez M., Aguilar A., 1990, Chem. Phys., 141, 401
- Stoecklin T., Clary D. C., 1992, J. Phys. Chem., 96, 7346
- Tsunashima S., Yokota T., Safarik I., Gunning H. E., Strausz O. P., 1975, J. Phys. Chem., 79, 775
- van der Tak F. F. S., Boonman A. M. S., Braakman R., van Dishoeck E. F., 2003, A&A, 412, 133
- Wakelam V., Herbst E., 2008, ApJ, 680, 371
- Wakelam V., Caselli P., Ceccarelli C., Herbst E., Castets A., 2004, A&A, 422, 159
- Wakelam V. et al., 2010, Space Sci. Rev., 156, 13
- Wakelam V., Hersant F., Herpin F., 2011, A&A, 529, 112
- Wakelam V. et al., 2012, ApJS, in press
- Werner H. J., Knowles P. J., 1985, J. Chem. Phys., 5053
- Werner H. J., Knowles P. J., 1988, J. Chem. Phys., 89, 5803
- Woodall J., Agúndez M., Markwick-Kemper A. J., Millar T. J., 2007, A&A, 466, 1197
- Yamada M., Osamura Y., Kaiser R. I., 2002, A&A, 395, 1031
- Zabarnick S., Fleming J. W., Lin M. C., 1989, Int. J. Chem. Kinet., 21, 765
- Zhang W., Du B., Feng C., 2005, J. Mol. Struct. (Theochem.), 726, 25
- Zúñiga J., Bastida A., Alacid M., Requena A., 1999, Chem. Phys. Lett., 313, 670