Concerted electron and proton transfer: Transition from nonadiabatic to adiabatic proton tunneling

Journal of Chemical Physics

Volumn 113, Issue 23, 2000, Pages 10438-10450

  Georgievskii, Yuri ^a   Stuchebrukhov, Alexei A ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; ELECTRON ENERGY LEVELS; ELECTRON TRANSITIONS; ELECTRONIC STRUCTURE; MOLECULAR DYNAMICS; MOLECULAR VIBRATIONS; QUANTUM THEORY;

PROTON TUNNELING;

CHARGE TRANSFER;

EID: 0034511473     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1323723     Document Type: Article

References (45)

1. A. Muller et al., Electron and proton transfer in chemistry and biology, Vol. 78 (Elsevier, Amsterdam, 1992).
2. J. Ulstrup, Charge Transfer Processes in Condensed Media (Springer-Verlag, Berlin, 1979).
3. R. A. Marcus and N. Sutin, Biochim. Biophys. Acta 811, 265 (1985).
4. A. M. Kuznetsov, Charge Transfer in Physics, Chemistry and Biology (Gorgon and Breach, Amsterdam, 1995).
5. R. I. Cukier and D. G. Nocera, Annu. Rev. Phys. Chem. 49, 337 (1998).
6. S. Hammes-Schiffer, in Electron Transfer in Chemistry, Vol. I. Principles. Theories, Methods, and Techniques, edited by V. Balzani (Wiley-VCH, Weinheim, 2000).
7. P. G. Wolynes, Phys. Rev. Lett. 47, 968 (1981).
8. J. N. Gehlen and D. Chandler, J. Chem. Phys. 97, 4958 (1992).
9. A. A. Stuchebrukhov, J. Chem. Phys. 95, 4258 (1991).
10. X. Song and A. A. Stuchebrukhov, J. Chem. Phys. 99, 969 (1993).
11. A. A. Stuchebrukhov and X. Song, J. Chem. Phys. 101, 9354 (1994).
12. C. D. Schwieters and G. A. Voth, J. Chem. Phys. 111, 2869 (1999).
13. J. Cao and G. A. Voth, J. Chem. Phys. 106, 1769 (1997).
14. A. Staib, D. Borgis, and J. T. Hynes, J. Chem. Phys. 102, 2487 (1995).
15. N. Shida, P. F. Barbara, and J. E. Almlöf, J. Chem. Phys. 91, 4061 (1989).
16. N. Makri and W. H. Miller, J. Chem. Phys. 91, 4026 (19).
17. M. S. Child, Molecular Collision Theory (Academic, London, 1974).
18. C. Zhu and H. Nakamura, J. Chem. Phys. 101, 10630 (1994).
19. C. Zhu and H. Nakamura, J. Chem. Phys. 107, 7839 (1997).
20. E. S. Medvedev and V. I. Osherov, Radiationless Transitions in Polyatomic Molecules (Springer-Verlag, Berlin, 1995).
21. Y. N. Demkov and V. I. Osherov, Sov. Phys. JETP 26, 916 (1968).
22. L. D. Landau, Phys. Z. Sowjetunion 46, 2 (1932).
23. C. Zener, Proc. R. Soc. London, Ser. A 137, 696 (1932).
24. D. Borgis, S. Lee, and J. T. Hynes, Chem. Phys. Lett. 162, 19 (1989).
25. If several vibrational states are participating in the reaction, the corresponding averaging over the initial and final states is necessary and the resulting equation for the rate is slightly more complicated than Eq. (1.3), see, e.g., Refs. 32,33,35.
26. E. D. German, A. M. Kuznetsov, and R. R. Dogonadze, J. Chem. Soc., Faraday II 76, 1128 (1980).
27. L. I. Krishtalik, Charge Transfer Reactions in Electrochemical and Chemical Processes (Plenum, New York, 1986).
28. D. F. Calef and P. G. Wolynes, J. Phys. Chem. 87, 3387 (1983).
29. It is worth noticing that although in both adiabatic and nonadiabatic regimes the reaction is due to quantum mechanical tunneling of the proton, it is only in the latter case a significant isotope effect should be expected.
30. J. Jortner, J. Chem. Phys. 64, 4860 (1976).
31. R. R. Dogonadze, A. M. Kuznetsov, and V. G. Levich, Elektrokhimiya 3, 739 (1967).
32. R. R. Dogonadze, A. M. Kuznetsov, and V. G. Levich, Electrochim. Acta 13, 1025 (1968).
33. R. I. Cukier, J. Phys. Chem. 98, 2377 (1994).
34. R. L. Cukier, J. Phys. Chem. 100, 15428 (1996).
35. A. Soudackov and S. Hammes-Schiffer, J. Am. Chem. Soc. 121, 10598 (1999).
36. A. Soudackov and S. Hammes-Schiffer, J. Chem. Phys. 113, 2385 (2000).
37. M. A. Vorotyntsev, R. R. Dogonadze, and A. M. Kuznetsov, Dokl. Akad. Nauk SSSR 209, 1135 (1973).
38. B. Fain, Theory of Rate Processes in Condensed Media (Springer, New York, 1980).
39. A. A. Stuchebrukhov, J. Chem. Phys. 108, 8499 (1998).
40. L. D. Landau and E. M. Lifshitz, Quantum Mechanics (Pergamon Press, New York, 1991).
41. A. Nitzan, J. Jortner, J. Wilkie, A. L. Burin, and M. A. Ratner. J. Phys. Chem. B 104, 5661 (2000).
42. R. Landauer and T. Martin, Rev. Mod. Phys. 66, 217 (1994).
43. M. Büttiker and R. Landauer, Phys. Rev. Lett. 49, 1739 (1982).
44. Bohmian Mechanics and Quantum Theory: An Apprisal, edited by J. Cushing, A. Fine, and S. Goldstein (Kluwer, Dordrecht, 1996).
45. I. Daizadeh, J. Guo, and A. A. Stuchebrukhov, J. Chem. Phys. 110, 8865 (1999).