How a transition state tightens: The singlet photodissociation of ketene as a test case

Journal of Physical Chemistry A

Volumn 101, Issue 36, 1997, Pages 6568-6576

  Wade, Elisabeth A ^a   Mellinger, Axel ^b   Hall, Melonie A ^b   Moore, C Bradley ^b  

^a SAN JOSE STATE UNIVERSITY   (United States)

^b NONE

Author keywords

[No Author keywords available]

Indexed keywords

DISSOCIATION; ELECTRONIC DENSITY OF STATES; MOLECULAR VIBRATIONS; PHOTOCHEMICAL REACTIONS; QUANTUM THEORY; REACTION KINETICS; SPECTROSCOPIC ANALYSIS;

KETENE; PHASE SPACE THEORY (PST); PHOTOFRAGMENT EXCITATION (PHOFEX) SPECTROSCOPY;

HYDROCARBONS;

EID: 0031553004     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp9707652     Document Type: Article

References (42)

1. Gilbert, R. G.; Smith, S. C. Theory of Unimolecular and Recombination Reactions; Blackwell Scientific: Oxford, U.K., 1990.
2. Reisler, H.; Wittig, C. Annu. Rev. Phys. Chem. 1986, 37, 307.
3. Green, W. H.; Moore, C. B.; Polik, W. F. Annu. Rev. Phys. Chem. 1992, 43, 591.
4. Moore, C. B.; Smith, I. W. M. J. Phys. Chem. 1996, 100, 12848.
5. Baer, T.; Hase, W. L. Unimolecular Reaction Dynamics: Theory and Experiments; Oxford University Press: Oxford, U.K., 1996.
6. Holbrook, K. A.; Pilling, M. J.; Robertson, S. H. Unimolecular Reactions, 2nd ed.; Wiley: New York, 1996.
7. Pechukas, P.; Light, J. C. J. Chem. Phys. 1965, 42, 3281.
8. Marcus, R. A. J. Chem. Phys. 1986, 85, 5035; Chem. Phys. Lett. 1988, 144, 208. Wardlaw, D. M.; Marcus, R. A. Adv. Chem. Phys. 1988, 70, 231.
9. Marcus, R. A. J. Chem. Phys. 1986, 85, 5035; Chem. Phys. Lett. 1988, 144, 208. Wardlaw, D. M.; Marcus, R. A. Adv. Chem. Phys. 1988, 70, 231.
10. Marcus, R. A. J. Chem. Phys. 1986, 85, 5035; Chem. Phys. Lett. 1988, 144, 208. Wardlaw, D. M.; Marcus, R. A. Adv. Chem. Phys. 1988, 70, 231.
11. Klippenstein, S. J.; Khundkar, L. R.; Zewail, A. H.; Marcus, R. A. J. Chem. Phys. 1988, 89, 4761.
12. Klippenstein, S. J.; Marcus, R. A. J. Chem. Phys. 1989, 91, 2280.
13. Klippenstein, S. J.; Marcus, R. A. J. Chem. Phys. 1990, 93, 2418.
14. Yu, J.; Klippenstein, S. J. J. Phys. Chem. 1991, 95, 9882.
15. Klippenstein, S. J.; East, A. L. L.; Allen, W. D. J. Chem. Phys. 1996, 105, 118.
16. Klippenstein, S. J.; Allen, W. D. Ber. Bunsenges. Phys. Chem. 1997, 101, 423-437.
17. Quack, M.; Troe, J. Ber. Bunsenges. Phys. Chem. 1974, 78, 240.
18. Troe, J. J. Chem. Phys. 1981, 75, 226.
19. Katagiri, H.; Kato, S. J. Chem. Phys. 1993, 99, 8805.
20. Miller, W. H. J. Chem. Phys. 1976, 65, 2216-2223.
21. Miller, W. H. In Potential Energy Surfaces and Dynamics Calculations; Truhlar, D. G., Ed.; Plenum: New York, 1981; pp 265-286.
22. East, A. L. L.; Allen, W. D.; Klippenstein, S. J. J. Chem. Phys. 1995, 102, 8506.
23. Maergoiz, A. I.; Nikitin, E. E.; Troe, J. J. Chem. Phys. 1991, 95, 5117.
24. Maergoiz, A. I.; Nikitin, E. E.; Troe, J.; Ushakov, V. G. J. Chem. Phys. 1996, 105, 6263, 6270, 6277.
25. Truhlar, D. G.; Garrett, B. C.; Klippenstein, S. J. J. Phys. Chem. 1996, 100, 12771.
26. Chen, I. C.; Green, W. H.; Moore, C. B. J. Chem. Phys. 1988, 89, 314.
27. Miyawaki, J.; Yamanouchi, K.; Tsuchiya, S. Chem. Phys. Lett. 1991, 180, 287.
28. Ionov, S. I.; Davis, H. F.; Mykhaylichenko, K.; Valachovic, L.; Beaudet, R. A.; Wittig, C. J. Chem. Phys. 1994, 101, 4809. Abel, B.; Hamann, H. H.; Lange, N. Faraday Discuss. Chem. Soc. 1995, 102, 147. Jost, R.; Nygard, J.; Pasinski, A.; Delon, A. J. Chem. Phys. 1996, 105, 1287.
29. Ionov, S. I.; Davis, H. F.; Mykhaylichenko, K.; Valachovic, L.; Beaudet, R. A.; Wittig, C. J. Chem. Phys. 1994, 101, 4809. Abel, B.; Hamann, H. H.; Lange, N. Faraday Discuss. Chem. Soc. 1995, 102, 147. Jost, R.; Nygard, J.; Pasinski, A.; Delon, A. J. Chem. Phys. 1996, 105, 1287.
30. Ionov, S. I.; Davis, H. F.; Mykhaylichenko, K.; Valachovic, L.; Beaudet, R. A.; Wittig, C. J. Chem. Phys. 1994, 101, 4809. Abel, B.; Hamann, H. H.; Lange, N. Faraday Discuss. Chem. Soc. 1995, 102, 147. Jost, R.; Nygard, J.; Pasinski, A.; Delon, A. J. Chem. Phys. 1996, 105, 1287.
31. Qian, C. X. W.; Ogai, A.; Reisler, H.; Wittig, C. J. Chem. Phys. 1989, 90, 209.
32. Wittig, C.; Nadler, I.; Reisler, H.; Catanzarite, J.; Radhakrishnan, G. J. Chem. Phys. 1985, 83, 5581.
33. Green, W. H.; Chen, I. C.; Moore, C. B. Ber. Bunsenges. Phys. Chem. 1988, 92, 389.
34. Green, W. H.; Mahoney, A. H.; Zheng, Q.-K.; Moore, C. B. J. Chem. Phys. 1991, 94, 1961.
35. Garcia-Moreno, I.; Lovejoy, E. R.; Moore, C. B. J. Chem. Phys. 1994, 100, 8890, 8902.
36. Wade, E. A.; Clauberg, H.; Kim, S. K.; Mellinger, A.; Moore, C. B. J. Phys. Chem. 1997, 101, 732.
37. Kim, S. K.; Choi, Y. S.; Pibel, C. D.; Zheng, Q.-K.; Moore, C. B. J. Chem. Phys. 1991, 94, 1954.
38. Hirschfelder, J. O.; Wigner, E. J. Chem. Phys. 1939, 7, 616-628.
39. Potter, E. D.; Gruebele, M.; Khundkar, L. R.; Zewail, A. H. Chem. Phys. Lett. 1989, 164, 463.
40. Kim, S. K.; Lovejoy, E. R.; Moore, C. B. J. Chem. Phys. 1995, 102, 3218.
41. Klippenstein, S. J., private communication.
42. Allen, W. D.; Schaefer, H. F., III. J. Chem. Phys. 1986, 84, 2212.