Dynamic spectral shift of benzophenone radical anion caused by the solvent molecule reorientation. Semiempirical PM3-MO and classical trajectory studies

Journal of Physical Chemistry

Volumn 100, Issue 43, 1996, Pages 17090-17093

  Tachikawa, Hiroto ^a  

^a HOKKAIDO UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 33748584043     PISSN: 00223654     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp961130q     Document Type: Article

References (30)

1. See, for example, the following. Solvent Effects in Organic Chemistry; Reichardt, C., Ed.; Weinheim: New York, Verlag Chemie, 1978.
2. For a review, see the following. Suppan, P. J. Photochem. 1990, 50, 293.
3. (a) Brealey, G. J.; Kasha, M. J. Am. Chem. Soc. 1955, 77, 4462.
4. (b) Becker, R. S. J. Mol. Spectrosc. 1959, 3, 1.
5. (a) DeBlt, S. E.; Koppman, P. A. J. Am. Chem. Soc. 1990, 112, 7515.
6. (b) Blair, J. T.; Krogth-Jespersen, K.; Levy, R. M. J. Am. Chem. Soc. 1989, 111, 6948.
7. (c) Fukunaga, U.; Morokuma, K. J. Phys. Chem. 1993, 97, 59.
8. (d) Sanchez, M. L.; Aguilar, M. A., Olivares del Valle, F. J. J. Phys. Chem. 1995, 99, 15758, and references therein.
9. Huddleston, R. K.; Miller, J. Radiat. Phys. Chem. 1981, 17, 383.
10. Jonah, C. D.; Lin, Y. Chem. Phys. Lett. 1992, 191, 357.
11. (a) Lin, Y.; Jonah, C. D. J. Phys. Chem. 1992, 96, 10119.
12. (b) Xujia, Z.; Jonah, C. D. Chem. Phys. Lett. 1995, 245, 421.
13. (a) Shida, T.; Hamil, W. J. Am. Chem. Soc. 1966, 88, 3683.
14. (b) Shida, T.; Iwata, S. J. Am. Chem. Soc. 1973, 95, 3473.
15. Ichikawa, T.; Ishikawa, Y.; Toshida, H. J. Phys. Chem. 1988, 92, 508.
16. (a) Stewart, J. J. P. J. Comput. Chem. 1989, 10, 209.
17. (b) Stewart, J. J. P. J. Comput. Chem. 1989, 10, 221.
18. (a) Tachikawa, H. J. Phys. Chem. 1995, 99, 255.
19. (b) Tachikawa, H.; Hamabayashi, T.; Yoshida, H. J. Phys. Chem. 1995, 99, 16630.
20. (c) Tachikawa, H.; Takamura, H.; Yoshida, H. J. Phys. Chem. 1994, 98, 5298.
21. (d) Tachikawa, H.; Tomoda, S. Chem. Phys. 1994, 182, 185.
22. (e) Tachikawa, H.; Lunnel, S.; Tomkvist, C.; Lund, A. J. Mol. Struct.: THEOCHEM 1994, 304, 25.
23. (f) Tachikawa, H.; Ohtake, A.; Yoshida, H. J. Phys. Chem. 1993, 97, 11944.
24. (g) Tachikawa, H.; Hokari, N.; Yoshida, H. J. Phys. Chem. 1993, 97, 10035.
25. Chen, W.; Hase, W. L.; Schlegel, H. B. Chem. Phys. Lett. 1994, 228, 436.
26. Newton, M. D. J. Phys. Chem. 1975, 79, 2795.
27. See, for examples, the following. (a) Romero, C.; Jonah, C. D. J. Chem. Phys. 1989, 90, 1877.
28. (b) Barnett, R. N.; Landman, U.; Nitzan, A. J. Chem. Phys. 1988, 89, 2242.
29. (c) Rossky, P. J.; Schnitker, J. J. Phys. Chem. 1988, 92, 4277.
30. Tachikawa, H. To be published.