Photoisomerization reaction of CH2BrI following A-band and B-band photoexcitation in the solution phase: Transient resonance Raman observation of the iso-CH2I-Br photoproduct

Journal of Chemical Physics

Volumn 113, Issue 8, 2000, Pages 3194-3203

  Zheng, Xuming ^a   Phillips, David Lee ^a  

^a UNIVERSITY OF HONG KONG   (Hong Kong)

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION SPECTROSCOPY; BAND STRUCTURE; HYDROCARBONS; ISOMERIZATION; PHOTOCHEMICAL REACTIONS; PHOTODISSOCIATION; PROBABILITY DENSITY FUNCTION; RAMAN SCATTERING; SOLUTIONS; TEMPERATURE; ULTRAVIOLET RADIATION;

BROMOIODOMETHANE; CYCLOHEXANE SOLUTIONS; DENSITY FUNCTIONAL THEORY; PHOTOEXCITATION; PHOTOISOMERIZATION REACTION;

BROMINE COMPOUNDS;

EID: 0034702695     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (48)

1. Th. Class and K. Ballschmiter, J. Atmos. Chem. 6, 35 (1988).
2. S. Klick and K. Abrahamsson, J. Geophys. Res. B 97, 12 683 (1992).
3. K. G. Heumann, Anal. Chim. Acta 283, 230 (1993).
4. R. M. Moore, M. Webb, R. Tokarczyk, and R. Wever, J. Petrol. 101, 20 899 (1996).
5. L. Carpenter, East Atlantic Spring Experiment (EASE) 1997 campaign.
6. J. C. Mössigner, D. E. Shallcross, and R. A. Cox, J. Chem. Soc., Faraday Trans. 94, 1391 (1998).
7. H. E. Simmons and R. D. Smith, J. Am. Chem. Soc. 81, 4256 (1959).
8. D. C. Blomstrom, K. Herbig, and H. E. Simmons, J. Org. Chem. 30, 959 (1965).
9. N. J. Pienta and P. J. Kropp, J. Am. Chem. Soc. 100, 655 (1978).
10. P. J. Kropp, N. J. Pienta, J. A. Sawyer, and R. P. Polniaszek, Tetrahedron 37, 3229 (1981).
11. P. J. Kropp, Acc. Chem. Res. 17, 131 (1984).
12. E. C. Friedrich, J. M. Domek, and R. Y. Pong, J. Org. Chem. 50, 4640 (1985).
13. E. C. Freidrich, S. E. Lunetta, and E. J. Lewis, J. Org. Chem. 54, 2388 (1989).
14. S. Durandetti, S. Sibille, and J. Pérchon, J. Org. Chem. 56, 3255 (1991).
15. S. J. Lee and R. Bersohn, J. Phys. Chem. 86, 728 (1982).
16. L. J. Butler, E. J. Hintsa, and Y. T. Lee, J. Chem. Phys. 84, 4104 (1986).
17. L. J. Butler, E. J. Hintsa, and Y. T. Lee, J. Chem. Phys. 86, 2051 (1987).
18. S. Q. Man, W. M. Kwok, and D. L. Phillips, J. Phys. Chem. 99, 15705 (1995).
19. S.-Q. Man, W. M. Kwok, A. E. Johnson, and D. L. Phillips, J. Chem. Phys. 105, 5842 (1996).
20. G. Maier and H. P. Reisenauer, Angew. Chem. Int. Ed. Engl. 25, 819 (1986).
21. G. Maier, H. P. Reisenauer, J. Lu, L. J. Scaad, and B. A. Hess Jr., J. Am. Chem. Soc. 112, 5117 (1990).
22. S. Miyano and H. Hashimoto, Bull. Chem. Soc. Jpn. 44, 2864 (1971).
23. L. C. T. Shoute, D. Pan, and D. L. Phillips, Chem. Phys. Lett. 290, 24 (1998).
24. D. Pan, L. C. T. Shoute, and D. L. Phillips, Chem. Phys. Lett. 303, 629 (1999).
25. D. Pan and D. L. Phillips, J. Phys. Chem. A 103, 4737 (1999).
26. D. Pan, L. C. T. Shoute, and D. L. Phillips, J. Phys. Chem. A 103, 6851 (1999).
27. D. Pan, L. C. T. Shoute, and D. L. Phillips, Chem. Phys. Lett. 316, 395 (2000).
28. GAUSSIAN 98, Revision A.7, M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, V. G. Zakrzewski, J. A. Montgomery, Jr., R. E. Stratmann, J. C. Burant, S. Dapprich, J. M. Millam, A. D. Daniels, K. N. Kudin, M. C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G. A. Petersson, P. Y. Ayala, Q. Cui, K. Morokuma, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. Cioslowski, J. V. Ortiz, A. G. Baboul, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham, C. Y. Peng, A. Nanayakkara, C. Gonzalez, M. Challacombe, P. M. W. Gill, B. Johnson, W. Chen, M. W. Wong, J. L. Andres, C. Gonzalez, M. Head-Gordon, E. S. Replogle, and J. A. Pople, Gaussian, Inc., Pittsburgh, PA, 1998.
29. A. D. Becke, J. Chem. Phys. 98, 1372 (1993).
30. R. Bauernschmitt and R. Ahlrichs, Chem. Phys. Lett. 256, 454 (1996).
31. N. Godbout, D. R. Salahub, J. Andzelm, and E. Wimmer, Can. J. Chem. 70, 560 (1992). Basis sets were obtained from the Extensible Computational Chemistry Environment Basis Set Database, Environmental and Molecular Sciences Laboratory, which is part of the Pacific Northwest Laboratory, P.O. Box 999, Richland, Washington 99352, and funded by the U.S. Department of Energy. The Pacific Northwest Laboratory is a multiprogram laboratory operated by Battele Memorial Institute for the U.S. Department of Energy under Contract No. DE-AC06-76RLO 1830. Contact David Feller or Karen Schuchardt for more information.
32. A. J. Sadlej, Theor. Chim. Acta 81, 339 (1992).
33. X. Zheng and D. L. Phillips, J. Phys. Chem. A 104, (2000).
34. X. Zheng, W. M. Kwok, and D. L. Phillips, J. Phys. Chem. A (submitted).
35. X. Zheng and D. L. Phillips, Chem. Phys. Lett. 316, 524 (2000).
36. M. Kawasaki, S. J. Lee, and R. Bersohn, J. Chem. Phys. 63, 809 (1975).
37. G. Schmitt and F. J. Comes, J. Photochem. 14, 107 (1980).
38. P. M. Kroger, P. C. Demou, and S. J. Riley, J. Chem. Phys. 65, 1823 (1976).
39. S. R. Cain, R. Huffman, and R. Grant, J. Phys. Chem. 85, 4046 (1981).
40. B. J. Schwartz, J. C. King, J. Z. Zhang, and C. B. Harris, Chem. Phys. Lett. 203, 503 (1993).
41. K. Saitow, Y. Naitoh, K. Tominaga, and Y. Yoshihara, Chem. Phys. Lett. 262, 621 (1996).
42. A. N. Tarnovsky, J.-L. Alvarez, A. P. Yartsev, V. Sündstrom, and E. Åkesson, Chem. Phys. Lett. 312, 121 (1999).
43. J. Zhang and D. G. Imre, J. Chem. Phys. 89, 309 (1988).
44. J. Zhang, E. J. Heller, D. Huber, D. G. Imre, and D. Tannor, J. Chem. Phys. 89, 3602 (1988).
45. W. M. Kwok and D. L. Phillips, Chem. Phys. Lett. 235, 260 (1995).
46. W. M. Kwok and D. L. Phillips, J. Chem. Phys. 104, 2529 (1996).
47. F. Duschek, M. Schmitt, P. Vogt, A. Materny, and W. Kiefer, J. Raman Spectrosc. 28, 445 (1997).
48. M. Braun, A. Materny, M. Schmitt, W. Kiefer, and V. Engel, Chem. Phys. Lett. 284, 39 (1998).