Theoretical study of ultrafast photoinduced electron transfer processes in mixed-valence systems

Journal of Physical Chemistry A

Volumn 107, Issue 13, 2003, Pages 2126-2136

  Wang, Haobin ^a   Thoss, Michael ^b  

^a NEW MEXICO STATE UNIVERSITY   (United States)

^b TECHNICAL UNIVERSITY OF MUNICH   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

CHARGE TRANSFER; COMPUTER SIMULATION; MOLECULAR DYNAMICS; MOLECULAR VIBRATIONS; PHASE TRANSITIONS; PHOTOCHEMICAL REACTIONS; QUANTUM THEORY; RUTHENIUM COMPOUNDS; SOLUTIONS;

INTRAMOLECULAR VIBRATIONAL MODE; QUANTUM DYNAMICAL SIMULATION; ULTRAFAST PHOTOINDUCED ELECTRON TRANSFER;

ELECTRON TRANSPORT PROPERTIES;

EID: 0037717103     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0272668     Document Type: Article

References (74)

1. Marcus, R. A.; Sutin, N. Biochim. Biophys. Acta 1985, 811, 265.
2. Electron Transfer: From Isolated Molecules to Biomolecules; Adv. Chem. Phys.-107; Jortner, J., Bixon, M., Eds.; Wiley: New York, 1999.
3. Barbara, P. F.; Meyer, T. J.; Ratner, M. A. J. Phys. Chem. 1996, 100, 13148.
4. Barbara, P. F.; Walker, G. C.; Smith, T. P. Science 1992, 256, 975.
5. Dorn, S. K.; Dyer, R. B.; Stoutland, P. O.; Woodruff, W. H. J. Am. Chem. Soc. 1993, 115, 6398.
6. Rubtsov, I. V.; Yoshihara, K. J. Phys. Chem. A 1999, 103, 10202.
7. Kambhampati, P.; Song, D. H.; Kee, T. W.; Barbara, P. F. J. Phys. Chem. A 2000, 104, 10637.
8. Song, D. H.; Kambhampati, P.; Kee, T. W.; Barbara, P. F. J. Phys. Chem. A 2002, 106, 4591.
9. Vos, M. H.; Rappaport, F.; Lambry, J.-C.; Breton, J.; Martin, J.-L. Nature 1993, 363, 320.
10. Reid, P. J.; Silva, C.; Barbara, P. F.; Karki, L.; Hupp, J. T. J. Phys. Chem. 1995, 99, 2609.
11. Wynne, K.; Reid, G. D.: Hochstrasser, R. M. J. Chem. Phys. 1996, 105, 2287.
12. Seel, M.; Engleitner, S.; Zinth, W. Chem. Phys. Lett. 1997, 275, 363.
13. Wolfseder, B.; Seidner, L.; Stock, G.; Domcke, W.; Steel, M.; Engleitner, S.; Zinth, W. Chem. Phys. 1998, 233, 323.
14. Walker, G. C.; Barbara, P. F.; Doorn, S. K.; Dong, Y.; Hupp, J. T. J. Phys. Chem. 1991, 95, 5712.
15. Tominaga, K.; Kliner, D. A. V.; Johnson, A. E.; Levinger, N. E.; Barbara, P. F. J. Chem. Phys. 1993, 98, 1228.
16. Wang, C.; Mohney, B. K.; Williams, R. D.; Petrov, V.; Hupp, J. T.; Walker, G. C. J. Am. Chem. Soc. 1998, 120, 5848.
17. Vance, F. W.; Karki, L.; Reigle, J. K.; Hupp, J. T.; Ratner, M. A. J. Phys. Chem. A 1998, 102, 8320.
18. Wang, C.; Mohney, B. K.; Akhremitchev, B. B.; Walker, G. C. J. Phys. Chem. A 2000, 104, 4314.
19. Doorn, S. K.; Hupp, J. T. J. Am. Chem. Soc. 1989, 111, 1142.
20. Mott, N. F. Proc. Cambridge Philos. Soc. 1931, 27, 553.
21. Delos, J. B.; Thorson, W. R. Phys. Rev. A 1972, 6, 720.
22. (a) Billing, G. D. Chem. Phys. Lett. 1975, 30, 391.
23. (b) Billing, G. D. J. Chem. Phys. 1993, 99, 5849.
24. (a) Gerber, R. B.; Buch, V.; Ratner, M. A. J. Chem. Phys. 1982, 77, 3022.
25. (b) Buch, V.; Gerber, R. B.; Ratner, M. A. Chem. Phys. Lett. 1983, 101, 44.
26. Micha, D. A. J. Chem. Phys. 1983, 78, 7138.
27. Graham, R.; Höhnerbach, M. Z. Phys. B 1984, 57, 233.
28. Stock, G. J. Chem. Phys. 1995, 103, 1561.
29. (a) Preston, R. K.; Tully, J. C. J. Chem. Phys. 1971, 54, 4297.
30. (b) Preston, R. K.; Tully, J. C. J. Chem. Phys. 1971, 55, 562.
31. (c) Tully, J. C. J. Chem. Phys. 1990, 93, 1061.
32. Herman, M. F. J. Chem. Phys. 1982, 76, 2949.
33. Webster, F. J.; Rossky, P. J. Friesner, R. A. Comput. Phys. Commun. 1991, 63, 494.
34. Chapman, S. Adv. Chem. Phys. 1992, 82, 423.
35. Leggett, A. J.; Chakravarty, S.; Dorsey, A. T.; Fisher, M. P.; Garg, A.; Zwerger, W. Rev. Mod. Phys. 1987, 59, 1.
36. Weiss, U. Quantum Dissipative Systems; World Scientific: Singapore, 1999.
37. Redfield, A. G. Adv. Magn. Reson. 1965, 1, 1.
38. Jean, J. M.; Friesner, R. A.; Fleming, G. R. J. Chem. Phys. 1992, 96, 5827.
39. May, V.; Kühn, O.; Schreiber, M. J. Phys. Chem. 1993, 97, 12591.
40. Pollard, W. T.; Friesner, R. A. J. Chem. Phys. 1994, 100, 5054.
41. Egorova, D.; Kühl, A.; Domcke, W. Chem. Phys. 2001, 268, 105.
42. Kleinekathöfer, U.; Kondov, I.; Schreiber, M. Chem. Phys. 2001, 268, 121.
43. Feynman, R. P.; Vernon, A. R. Ann. Phys. 1963, 24, 118.
44. Coalson, R. D. J. Chem. Phys. 1987, 86, 995.
45. Mak, C. H.; Chandler, D. Phys. Rev. A 1991, 44, 2352.
46. Egger, R.; Weiss, U. Z. Phys. B 1992, 89, 97.
47. Egger, R.; Mak, C. H. Phys. Rev. B 1994, 50, 15210.
48. Makarov, D. E.; Makri, N. Chem. Phys. Lett. 1994, 221, 482.
49. Makri, N.; Makarov, D. E. J. Chem. Phys. 1995, 102, 4600.
50. Winterstetter, M.; Domcke, W. Chem. Phys. Lett. 1995, 236, 445.
51. Stockburger, J.; Mak, C. H. Phys. Rev. Lett. 1998, 80, 2657.
52. Evans, D. G.; Nitzan, A.; Ratner, M. A. J. Chem. Phys. 1998, 108, 6387.
53. Thoss, M.; Wang, H. Chem. Phys. Lett. 2002, 358, 298.
54. Wang, H.; Thoss, M.; Miller, W. H. J. Chem. Phys. 2001, 115, 2979.
55. Thoss, M.; Wang, H.; Miller, W. H. J. Chem. Phys. 2001, 115, 2991.
56. Sumi, H.; Marcus, R. A. J. Chem. Phys. 1986, 84, 4894.
57. Jortner, J.; Bixon, M. J. Chem. Phys. 1988, 88, 176.
58. In addition to the eight intramolecular modes used in the modeling in ref 15, we have included a ninth mode corresponding to a strongly coupled, low-frequency intramolecular mode that was observed recently in resonance Raman experiments: cf. refs 7 and 8.
59. Chandler, D. In Liquids, Freezing and Glass Transition; Levesque, D., Hansen, J. P., Zinn-Justin, J., Eds.; Elsevier Science Publishers: Amsterdam, 1991.
60. Bader, J. S.; Chandler, D. Chem. Phys. Lett. 1989, 157, 501.
61. Schulten, K.; Tesch, M. Chem. Phys. 1991, 158, 421.
62. Bader, J.; Chandler, D. J. Chem. Phys. 1992, 99, 4391.
63. Jimenez, R.; Fleming, G. R.; Kumar, P. V.; Maroncelli, M. Nature 1994, 369, 471.
64. Stratt, R. M.; Maroncelli, M. J. Phys. Chem. 1996, 100, 12981.
65. -1 (which was not included in their model) from the reorganization energy of the bath to keep the total (inner sphere + outer sphere) reorganization energy fixed.
66. Meyer, H.-D.; Manthe, U.; Cederbaum, L. S. Chem. Phys. Lett. 1990, 165, 73.
67. Beck, M. H.; Jäckle, A.; Worth, G. A.; Meyer, H.-D. Phys. Rep. 2000, 324, 1.
68. Wang, H. J. Chem. Phys. 2000, 113, 9948.
69. (a) Wang, H.; Sun, X.; Miller, W. H. J. Chem. Phys. 1998, 108, 9726.
70. (b) Sun, X.; Wang, H.; Miller, W. H. J. Chem. Phys. 1998, 109, 4190.
71. (c) Sun, X.; Wang, H.; Miller, W. H. J. Chem. Phys. 1998, 109, 7064.
72. (d) Sun, X.; Wang, H.; Song, X.; Chandler, D.; Miller, W. H. J. Chem. Phys. 1999, 110, 4828.
73. Bacić, Z.; Light, J. C. J. Chem. Phys. 1986, 85, 4594.
74. Kober, E. M.; Goldsby, K. A.; Narayana, D. N. S.; Meyer, T. J. J. Am. Chem. Soc. 1983, 105, 4303.