Structural fluctuations, spin, reorganization energy, and tunneling energy control of intramolecular electron transfer: The surprising case of electron transfer in a d8-d8 bimetallic system

Journal of the American Chemical Society

Volumn 119, Issue 24, 1997, Pages 5690-5700

  Kurnikov, I V ^a   Zusman, L D ^a,b   Kurnikova, M G ^a   Farid, R S ^c   Beratan, D N ^a  

^a UNIVERSITY OF PITTSBURGH   (United States)

^b NIKOLAEV INSTITUTE OF INORGANIC CHEMISTRY   (Russian Federation)

^c RUTGERS UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACCELERATION; ARTICLE; CONFORMATION; ELECTRON TRANSPORT; MOLECULAR DYNAMICS; REACTION ANALYSIS;

EID: 0030873609     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja970309r     Document Type: Article

References (42)

1. Marcus, R. A.; Sutin, N. Biochim. Biophys. Acta 1985, 811, 265-322.
2. Bendall, D. S., Ed. Protein Electron Transfer. BIOS Scientific Publishers Ltd.: Oxford, UK, 1996.
3. Newton, M. D. Chem. Rev. 1991, 91, 767-792.
4. Jordan K. D.; Paddon-Row, M. N. Chem. Rev. 1992, 92, 395-410.
5. Fox, L. S.; Kozik, M.; Winkler, J. R.; Gray, H. B. Science 1990, 247, 1069-1071.
6. Farid, R. S.; Fox, L. S.; Gray, H. B.; Kozik, M.; Chang, I. J.; Winkler, J. Mol. Cryst. Liq. Cryst. 1991, 194, 259-262.
7. Farid, R. S.; Chang, I. J.; Winkler, J. R.; Gray, H. B. J. Phys. Chem. 1994, 98, 5176-5179.
8. Farid, S. Ph.D. Dissertation, California Institute of Technology, Pasadena, CA, 1991.
9. Marcus, R. A. Annu. Rev. Phys. Chem. 1964, 15, 155-196.
10. Closs, G. L.; Calcaterra, L. T.; Green, N. J.; Penfield, K. W.; Miller, J. R. J. Phys. Chem. 1986, 90, 3673-3683.
11. Miller, J. R.; Beitz, J. V.; Huddleston, R. K. J. Am. Chem. Soc. 1987, 109, 5061-5065.
12. Closs, G. L.; Miller, J. R. Science 1988, 240, 440-447.
13. Gould, I. R.; Ege, D.; Mattes, S. L.; Farid, S. J. Am. Chem. Soc. 1987, 109, 3794-3796.
14. Gould, I. R.; Moser, J. E.; Ege, D.; Farid, S. J. Am. Chem. Soc. 1988, 110, 1991-1993.
15. Gould, I. R.; Moody, R.; Farid, S. J. Am. Chem. Soc. 1988, 110, 7242-7244.
16. Gould, I. R.; Moser, J. E.; Armitage, B.; Farid, S.; Goodman, J., Herman, M. J. Am. Chem. Soc. 1989, 111, 1917-1919.
17. Onuchic, J. N.; Beratan, D. N.; Winkler, J. R.; Gray, H. B. Annu. Rev. Biophys. Biomol. Struct. 1992, 21, 349-377.
18. Bowler, B. E.; Raphael, A. L.; Gray, H. B. Prog. Inorg. Chem. 1989, 38, 259-322.
19. Turro, N. J. Modern Molecular Photochemistry; Benjamin Cummings: New York, 1978.
20. Caspar, J. V.; Wang, Y. Chem. Phys. Lett. 1994, 218, 221-228.
21. Wolfgang, J.; Risser, S. M.; Priyadarshy, S.; Beratan, D. N. J. Phys. Chem. B 1997, 101, 2986-2991.
22. Daizadeh, I.; Medvedev, E. S.; Stuchebrukhov, A. A. Proc. Natl. Acad. Sci. USA 1997, in press.
23. Bohm, H. J.; McDonald, I. R. Mol. Phys. 1983, 49, 347-360.
24. Pearlman, D. A.; Case, D. A.; Caldwell, J. W.; Ross, W. S.; Cheatham, T. E., III; Ferguson, D. M.; Seibel, G. L.; Singh, U. C.; Weiner, P. K.; Kollman, P. A. AMBER 4.1; University of California: San Francisco, 1995.
25. Singh, U. C.; Kollman, P. A. J. Comput. Chem. 1984, 5, 129-145.
26. Besler, B. H.; Merz, K. M.; Kollman, P. A. J. Comput. Chem. 1990, 11, 431-439.
27. Hay, P. J.; Wadt, W. R. J. Chem. Phys. 1985, 82, 299-310.
28. Marcus, R. A. J. Chem. Phys. 1956, 24, 966-978.
29. Liu, Y. P.; Newton, M. D. J. Phys. Chem. 1995, 99, 12382-12386.
30. Sitkoff, D.; Sharp, K. A.; Honig, B. J. Phys. Chem. 1994, 98, 1978-1988.
31. Zhang, L. Y.; Friesner, R. A. J. Phys. Chem. 1995, 99, 16479-16482.
32. Nicholls, A.; Sharp, K. A.; Honig, B. DelPhi V3.0; Department of Biochemistry and Molecular Biophysics, Columbia University: New York, 1990.
33. Møller, C.; Plesset, M. S. Phys. Rev. 1934, 46, 618-622.
34. Head-Gordon, M.; Pople, J. A.; Frisch, M. J. Chem. Phys. Lett. 1988, 153, 503-506.
35. Kurnikov, I. V.; Beratan, D. N. J. Chem. Phys. 1996, 105, 9561-9573.
36. Jørgenson, P. D. Second Quantization-Based Methods in Quantum Chemistry; Academic Press: New York, NY, 1981.
37. Huzinaga, S.; Arnau, S. Phys. Rev. A 1970, 1, 1285-1288.
38. Huzinaga, S.; Arnau, S. J. Chem. Phys. 1971, 54, 1948-1951.
39. Smith, D. C.; M., M. V.; Mason, W. R.; Gray, H. B. J. Am. Chem. Soc. 1990, 112, 3759-3767.
40. Marshall, J. L.; Hopkins, M. D.; M., M. V.; Gray, H. B. Inorg. Chem. 1992, 31, 5034-5040.
41. Lichtenberger, D. L.; Copenhaver, A. S.; Gray, H. B.; Marshall, J. L.; Hopkins, M. D. Inorg. Chem. 1988, 27, 4888-4893.
42. Okamura, M. Y.; Fredkin, D. R.; Isaacson, R. A.; Feher, G. In Tunneling in Biological Systems; Chance, B., Marcus, R. A., DeVault, D. C., Schrieffer, J. R., Fraunfelder, H., Sutin, N., Eds.; Academic Press: New York, 1979; pp 729-743.