Kinetic and mechanistic study of the reaction of atomic chlorine with methyl bromide over an extended temperature range

Chemical Physics

Volumn 231, Issue 2-3, 1998, Pages 155-169

  Piety, C A ^a   Soller, R ^a   Nicovich, J M ^b   McKee, M L ^c   Wine, P H ^a,b  

^a GEORGIA INSTITUTE OF TECHNOLOGY   (United States)

^b GEORGIA TECH RESEARCH INSTITUTE   (United States)

^c AUBURN UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0032096563     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0301-0104(97)00356-X     Document Type: Article

References (63)

1. C.H. Bell, N. Price, B. Chakrabarti (Eds.), The Methyl Bromide Issue, Wiley, New York, 1996.
2. J.H. Butler, J.M. Rodriguez, Methyl bromide in the atmosphere, in: C.H. Bell, N. Price, B. Chakrabarti (Eds.), The Methyl Bromide Issue, Wiley, New York, 1996, pp. 27-90 (and references therein).
3. P. Warneck, Chemistry of the Natural Atmosphere, Academic Press, London, 1987.
4. Jobson B.T., Niki H., Yokouchi Y., Bottenheim J., Hopper F., Leaitch R. J. Geophys. Res. 99:1994;25355.
5. Singh H.B., Gregory G.L., Anderson B., Browell E., Sachse G.W., Davis D.D., Crawford J., Bradshaw J.D., Talbot R., Blake D.R., Thornton D., Newell R., Merrill J. J. Geophys. Res. 101:1996;1907.
6. Singh H.B., Thakur A.N., Chen Y.E. Geophys. Res. Lett. 23:1996;1529.
7. Vogt R., Crutzen P.J., Sander R. Nature (London). 383:1996;327.
8. Finlayson-Pitts B.J. Res. Chem. Intermed. 19:1993;235.
9. W.B. DeMore, S.P. Sander, D.M. Golden, R.F. Hampson, M.J. Kurylo, C.J. Howard, A.R. Ravishankara, C.E. Kolb, M.J. Molina, Chemical kinetics and photochemical data for use in stratospheric modeling, Jet Propulsion Lab., Pasadena, CA, 1997, JPL Publ. No. 97-4.
10. Atkinson R., Baulch D.L., Cox R.A., Hampson R.F. Jr., Kerr J.A., Rossi M.J., Troe J. J. Phys. Chem. Ref. Data. 26:1997;521.
11. Tschuikow-Roux E., Faraji F., Paddison S., Niedzielski J., Miyokawa K. J. Phys. Chem. 92:1988;1488.
12. Gierczak T., Goldfarb L., Sueper D., Ravishankara A.R. Int. J. Chem. Kinet. 26:1994;719.
13. Orlando J.J., Tyndall G.S., Wallington T.J., Dill M. Int. J. Chem. Kinet. 28:1996;433.
14. K.G. Kambanis, Y.G. Lazarou, P. Papagiannakopoulos, J. Phys. Chem. (in press).
15. Sehested J., Bilde M., Mogelberg T., Wallington T.J., Nielsen O.J. J. Phys. Chem. 100:1996;10989.
16. Stickel R.E., Nicovich J.M., Wang S., Zhao Z., Wine P.H. J. Phys. Chem. 96:1992;9875.
17. Nicovich J.M., Wang S., McKee M.L., Wine P.H. J. Phys. Chem. 100:1996;680. and references therein.
18. Y.V. Ayhens, J.M. Nicovich, M.L. McKee, P.H. Wine, J. Phys. Chem. (in press).
19. Maul C., Haas T., Gericke K-H., Comes F.J. J. Chem. Phys. 102:1995;3238.
20. Busch G.E., Mahoney R.T., Morse R.I., Wilson K.R. J. Chem. Phys. 51:1969;449.
21. Park J., Lee Y., Flynn G.W. Chem. Phys. Lett. 186:1991;441.
22. Chichinin A.I. Chem. Phys. Lett. 209:1993;459.
23. Tyndall G.S., Orlando J.J., Kegley-Owen C.S. J. Chem. Soc., Faraday Trans. 91:1995;3055.
24. Chichinin A.I., Krasnoperov L.N. Chem. Phys. Lett. 124:1986;8.
25. Chichinin A.I., Chasovnikov S.A., Krasnoperov L.N. Chem. Phys. Lett. 138:1987;371.
26. Fletcher I.S., Husain D. Chem. Phys. Lett. 49:1977;516.
27. Chichinin A.I., Krasnoperov L.N. Chem. Phys. Lett. 160:1989;448.
28. M.J. Frisch, G.W. Trucks, H.B. Schlegel, P.M.W. Gill, B.G. Johnson, M.A. Robb, J.R. Cheeseman, T. Keith, G.A. Petersson, J.A. Montgomery, K. Raghavachari, M.M. Al-Laham, V.G. Zakrzewski, J.V. Ortiz, J.B. Foresman, J. Cioslowski, B.B. Stefanov, A. Nanayakkara, M. Challacombe, C.Y. Peng, P.Y. Ayala, W. Chen, M.W. Wong, J.L. Andres, E.S. Replogel, R. Gomperts, R.L. Martin, D.J. Fox, J.S. Binkley, D.J. DeFrees, J. Baker, J.P. Stewart, M. Head-Gordon, C. Gonzalez, J.A. Pople, Gaussian 94 (Rev. B.1), Gaussian, Inc., Pittsburgh, PA, 1995.
29. L.J. Bartolotti, K. Flurchick, An introduction to density functional theory, in: K.B. Lipkowitz, D.B. Boyd (Eds.), Reviews in Computational Chemistry, vol. 7, VCH, New York, 1996.
30. R.G. Parr, W. Yang, Density Functional Theory of Atoms and Molecules, Oxford University, Press, Oxford, 1989.
31. Ziegler T. Chem. Rev. 91:1991;651.
32. J.K. Labanowski, J.W. Andzelm (Eds.), Density Functional Methods in Chemistry, Springer, Berlin, 1991.
33. Johnson B.G., Gill P.M.W., Pople J.A. J. Chem. Phys. 98:1993;5612.
34. Gill P.M.W., Johnson B.G., Pople J.A., Frisch M.J. Chem. Phys. Lett. 197:1992;499.
35. Raghavachari K., Strout D.L., Odom G.K., Scuseria G.E., Pople J.A., Johnson B.G., Gill P.M.W. Chem. Phys. Lett. 214:1993;357.
36. Raghavachari K., Zhang B., Pople J.A., Johnson B.G., Gill P.M.W. Chem. Phys. Lett. 220:1994;1994.
37. Johnson B.G., Gonzales C.A., Gill P.M.W., Pople J.A. Chem. Phys. Lett. 221:1994;100.
38. Baker J., Scheiner A., Andzelm J. Chem. Phys. Lett. 216:1993;380.
39. J.M. Seminario, P. Politzer (Eds.), Modern Density Functional Theory. A Tool for Chemistry, Elsevier, New York, 1995.
40. Becke A.D. J. Chem. Phys. 98:1993;5648.
41. Bergner A., Dolg M., Küchle W., Stoll H., Preuss H. Mol. Phys. 80:1993;1431.
42. Schwerdtfeger P., Dolg M., Schwartz W.H., Bowmaker G.A., Boyd P.D.W. J. Chem. Phys. 91:1989;1762.
43. Curtiss L.A., Raghavachari K., Trucks G.W., Pople J.A. J. Chem. Phys. 94:1991;7221.
44. Curtiss L.A., Raghavachari K., Pople J.A. J. Chem. Phys. 98:1993;1293.
45. Glukhovtsev M.N., Pross A., McGrath M.P., Radom L., Chem J. J. Chem. Phys. 103:1995;1878. erratum: J. Chem. Phys. 104 (1996) 3407.
46. Glukhovtsev M.N., Pross A., Radom L. J. Am. Chem. Soc. 117:1995;9012.
47. Glukhovtsev M.N., Pross A., Radom L. J. Phys. Chem. 100:1996;3498.
48. Bauschlicher C.W. Jr., Partridge H. J. Chem. Phys. 103:1995;1788.
49. O. Madelung (Ed.), Structure of Free Polyatomic Molecules, Landolt-Börnstein, New Series, vol. 15, Springer, New York, 1987.
50. McKee M.L. J. Phys. Chem. 97:1993;10971.
51. Hiberty P.C., Humbel S., Danovich D., Shaik S. J. Am. Chem. Soc. 117:1995;9003. and references therein.
52. Kudchadker S.A., Kudchadker A.P. J. Phys. Chem. Ref. Data. 4:1975;457.
53. L. Radom, Structural consequences of hyperconjugation, in: I.G. Czismadia (Ed.), Molecular Structure and Conformation, Elsevier, New York, 1982, pp. 1-64.
54. Chase M.W. Jr., Davies C.A., Downey J.R. Jr., Frurip D.J., McDonald R.A., Syverud A.N. J. Phys. Chem. Ref. Data. 14:1985;. Supplement I.
55. G.H. Herzberg, Electronic Spectra of Polyatomic Molecules, Van Nostrand Reinhold, New York, 1966.
56. L.M. Sverdlov, M.A. Kovner, E.P. Krainov, Vibrational Spectra of Polytomic Molecules, Wiley, New York, 1974.
57. C.A. Piety, J.M. Nicovich, Y.V. Ayhens, E.G. Estupinan, R. Soller, M.L. McKee, P.H. Wine, 14th Int. Symp. on Gas Kinetics, Leeds, 1996, Abstr. D6.
58. M. Bilde, J. Sehested, O.J. Nielsen, T.J. Wallington, R.J. Meagher, M.E. McIntosh, C.A. Piety, J.M. Nicovich, P.H. Wine, J. Phys. Chem. (in press).
59. Bilde M., Sehested J., Mogelberg T., Wallington T.J., Nielsen O.J. J. Phys. Chem. 100:1996;7050.
60. Bilde M., Sehested J., Nielsen O.J., Wallington T.J. J. Phys. Chem. 101:1997;5477.
61. C.W. Spicer, E.G. Chapman, B.J. Finlayson-Pitts, R.A. Plastridge, J.M. Hubbe, J.D. Fast, C.M. Berkowitz (to be published).
62. E. Roseman, M.L. McKee, manuscript in preparation.
63. van Duijneveldt F.B., van Duijneveldt-van de Rijdt J.G.C.M., van Lenthe J.H. Chem. Rev. 94:1994;1873.