Phenomenology of electron solvation in polar fluids

Journal of Physical Chemistry

Volumn 100, Issue 49, 1996, Pages 18916-18923

  Graf, Peter ^a   Nitzan, Abraham ^a   Diercksen, Geerd H F ^b  

^a TEL AVIV UNIVERSITY   (Israel)

^b MAX PLANCK INSTITUT FÜR ASTROPHYSIK   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0012073781     PISSN: 00223654     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp960961t     Document Type: Article

References (47)

1. For a review, see: Maroncelli, M. J. Mol. Liq. 1993, 57, 1.
2. For more recent literature, see refs cited in: Horng, M. L.; Gardecki, J.; Papazyan, A.; Maroncelli, M. J. Phys. Chem. 1995, 99, 17311.
3. Olender, R.; Nitzan, A. J. Chem. Phys. 1995, 102, 7180.
4. Cho, M.; Rosenthal, S. J.; Scherer, N. F.; Ziegler, L. D.; Fleming, G. R. J. Chem. Phys. 1992, 96, 5033.
5. Jimenez, R.; Fleming, G. R.; Kumar, P. V.; Maroncelli, M. Nature (London) 1994, 369, 471.
6. Fee, R. S.; Maroncelli, M. Chem. Phys. 1994, 183, 235.
7. Neria, E.; Nitzan, A. J. Chem. Phys. 1992, 96, 5433.
8. Perera, L.; Berkowitz, M. L. J. Chem. Phys. 1992, 96, 3092.
9. (a) Migus, A.; Gauduel, Y.; Martin, J. L.; Antonetti, A. Phys. Rev. Lett. 1987, 58, 1559.
10. (b) Gaudel, Y.; Pommeret, S.; Migus, A.; Antonetti, A. J. Phys. Chem. 1991, 95, 533.
11. (c) Pommeret, S.; Antonetti, A.; Gaudel, Y. J. Am. Chem. Soc. 1991, 113, 9105.
12. (d) Long, F. H.; Lu, H.; Eisenthal, K. B. Phys. Rev. Lett. 1990, 64, 1469.
13. (e) Long, F. H.; Lu, H.; Shi, X.; Eisenthal, K. B. Chem. Phys. Lett. 1991, 185, 27.
14. (f) Long, F. H.; Lu, H.; Eisenthal, K. B. Chem. Phys. Lett. 1989, 160, 464.
15. (a) Neria, E.; Nitzan, A.; Barnett, R. N.; Landman, U. Phys. Rev. Lett. 1991, 67, 1011.
16. (b) Neria, E.; Nitzan, A. J. Chem. Phys. 1993, 99, 1109.
17. (a) Webster, F. J.; Schnitker, J.; Friedrich, M. S.; Friesner, R. A.; Rossky, P. J. Phys. Rev. Lett. 1991, 66, 3172.
18. (b) Webster, F. J.; Rossky, P. J.; Friesner, R. A. Comput. Phys. Comm. 1991, 63, 494.
19. Alfano, J. C.; Walhout, P. K.; Kimura, Y.; Barbara, P. F. J. Chem. Phys. 1993, 98, 5996.
20. Kimura, Y.; Alfano, J. C.; Walhout, P. K.; Barbara, P. F. J. Phys. Chem. 1994, 98, 3450.
21. Reid, P. J.; Silva, C.; Walhout, P. K.; Barbara, P. F. Chem. Phys. Lett. 1994, 228, 658.
22. Barnett, R. N.; Landman, U.; Nitzan, A. J. Chem. Phys. 1989, 90, 4413.
23. (a) Schwartz, B. J.; Rossky, P. J. J. Chem. Phys. 1994, 101, 6902.
24. (b) Bittner, E. R.; Rossky, P. J. J. Chem. Phys. 1995, 103, 8130.
25. (c) Schwartz, B. J.; Bittner, E. R.; Prezhdo, O. V.; Rossky, P. J. J. Chem. Phys. 1996, 104, 5942.
26. Schnitker, J.; Rossky, P. J. J. Chem. Phys. 1987, 86, 3462.
27. Rips, I. Chem. Phys. Lett. 1995, 245, 79.
28. Rosenblit, M.; Jortner, J. Phys. Rev. Lett. 1995, 75, 4079.
29. Lax, M. J. Chem. Phys. 1952, 20, 1752.
30. (a) Warshel, A. J. Phys. Chem. 1982, 86, 2218.
31. Warshel, A.; Parson, W. W. Annu. Rev. Phys. Chem. 1991, 42, 279.
32. (b) Sparpaglion, M.; Mukamel, S. J. Phys. Chem. 1987, 91, 3838;
33. J. Chem. Phys. 1988, 88, 3263, 4300. Jan;
34. Mukamel. J. Chem. Phys. 1988, 88, 5735.
35. (c) Borgis, D.; Hynes, J. T. J. Chem. Phys. 1991, 94, 3619.
36. Adams, D. J.; Adams, E. H.; Hills, G. J. Mol. Phys. 1979, 38, 931.
37. Andersen, H. C. J. Comput. Phys. 1983, 52, 24.
38. Andersen, H. C. J. Chem. Phys. 1980, 72, 2384.
39. See, e.g.: Barnett, R. N.; Landman, U.; Nitzan, A. J. Chem. Phys. 1988, 89, 2242.
40. Chandler, D.; Singh, Y.; Richardson, D. M. J. Chem. Phys. 1984, 81, 1975.
41. Shaw, M. R.; Thirumalai, D. J. Chem. Phys. 1990, 93, 3460.
42. Laria, D.; Wu, D.; Chandler, D. J. Chem. Phys. 1991, 95, 4444.
43. Zhu, J.; Cukier, R. I. J. Chem. Phys. 1993, 99, 1288.
44. Zhu, J.; Cukier, R. I. J. Chem. Phys. 1993, 99, 5384.
45. This observation should be regarded with some caution since our simulated system is relatively small (100 solvent particles in a box of linear size 40 au). Also note that it is possible that at considerably larger values of μ the solvent structure will change; e.g., crystallization may occur, which may cause a qualitative change in the electronic wave function. We did not explore this possibility in the present work.
46. We do not expect that the solvent intramolecular vibrations strongly influence the level and the gap fluctuations. During the adiabatic motion these modes essentially remain in their ground state at the temperature considered. Nevertheless, these modes affect the nonadiabatic transition (see section 5).
47. Mosyak, A.; Nitzan, A. In Reaction Dynamics in Clusters and Condensed Phases; Pullman, B., Jortner, J., Levine, R. D., Eds.; Kluwer: Amsterdam, 1994; p 557.