A sequential formula for electronic coupling in long range bridge-assisted electron transfer: Formulation of theory and application to alkanethiol monolayers

Journal of Chemical Physics

Volumn 106, Issue 2, 1997, Pages 584-598

  Hsu, Chao Ping ^a   Marcus, R A ^a  

^a CALIFORNIA INSTITUTE OF TECHNOLOGY   (United States)

Author keywords

[No Author keywords available]

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EID: 0346266823     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.473398     Document Type: Article

References (75)

1. (a) For example, for ET in biological processes there is a review article by B. E. Bowler, A. L. Raphael, and H. B. Gray, Prog. Inorg. Chem. 38, 259 (1990) and references cited therein; C. C. Moser, J. M. Keske, K. Warncke, R. S. Farid, and P. L. Dutton, Nature 355, 796 (1992): I. Bertini, H. B. Gray, S. J. Lippard, and J. Valentine, Bioinorganic Chemistry (University Science, Mill Valley, 1994);
2. (a) For example, for ET in biological processes there is a review article by B. E. Bowler, A. L. Raphael, and H. B. Gray, Prog. Inorg. Chem. 38, 259 (1990) and references cited therein; C. C. Moser, J. M. Keske, K. Warncke, R. S. Farid, and P. L. Dutton, Nature 355, 796 (1992): I. Bertini, H. B. Gray, S. J. Lippard, and J. Valentine, Bioinorganic Chemistry (University Science, Mill Valley, 1994);
3. (a) For example, for ET in biological processes there is a review article by B. E. Bowler, A. L. Raphael, and H. B. Gray, Prog. Inorg. Chem. 38, 259 (1990) and references cited therein; C. C. Moser, J. M. Keske, K. Warncke, R. S. Farid, and P. L. Dutton, Nature 355, 796 (1992): I. Bertini, H. B. Gray, S. J. Lippard, and J. Valentine, Bioinorganic Chemistry (University Science, Mill Valley, 1994);
4. (b) for organic bridges, see, for example, G. L. Closs and J. R. Miller, Science 240, 440 (1988);
5. (c) for theoretical works on the electronic coupling of long range ET, see, for example. S. Larsson and M. Braga, Int. J. Quantum Biol. Symp. S20, 65 (1993) and references cited therein; J. Logan and M. D. Newton, J. Phys. Chem. 92, 3049 (1988); M. D. Newton, Chem. Rev. 91, 767 (1991), and references cited therein; J. R. Reimers and N. S. Hush. Chem. Phys. 146, 89 (1990); J. N. Onuchic, P. C. P. de Andrade, and D. N. Beratan, J. Chem. Phys. 95, 1131 (1991); P. Siddarth and R. A. Marcus, J. Phys. Chem. 97, 13078 (1993), and references cited therein;
6. (c) for theoretical works on the electronic coupling of long range ET, see, for example. S. Larsson and M. Braga, Int. J. Quantum Biol. Symp. S20, 65 (1993) and references cited therein; J. Logan and M. D. Newton, J. Phys. Chem. 92, 3049 (1988); M. D. Newton, Chem. Rev. 91, 767 (1991), and references cited therein; J. R. Reimers and N. S. Hush. Chem. Phys. 146, 89 (1990); J. N. Onuchic, P. C. P. de Andrade, and D. N. Beratan, J. Chem. Phys. 95, 1131 (1991); P. Siddarth and R. A. Marcus, J. Phys. Chem. 97, 13078 (1993), and references cited therein;
7. (c) for theoretical works on the electronic coupling of long range ET, see, for example. S. Larsson and M. Braga, Int. J. Quantum Biol. Symp. S20, 65 (1993) and references cited therein; J. Logan and M. D. Newton, J. Phys. Chem. 92, 3049 (1988); M. D. Newton, Chem. Rev. 91, 767 (1991), and references cited therein; J. R. Reimers and N. S. Hush. Chem. Phys. 146, 89 (1990); J. N. Onuchic, P. C. P. de Andrade, and D. N. Beratan, J. Chem. Phys. 95, 1131 (1991); P. Siddarth and R. A. Marcus, J. Phys. Chem. 97, 13078 (1993), and references cited therein;
8. (c) for theoretical works on the electronic coupling of long range ET, see, for example. S. Larsson and M. Braga, Int. J. Quantum Biol. Symp. S20, 65 (1993) and references cited therein; J. Logan and M. D. Newton, J. Phys. Chem. 92, 3049 (1988); M. D. Newton, Chem. Rev. 91, 767 (1991), and references cited therein; J. R. Reimers and N. S. Hush. Chem. Phys. 146, 89 (1990); J. N. Onuchic, P. C. P. de Andrade, and D. N. Beratan, J. Chem. Phys. 95, 1131 (1991); P. Siddarth and R. A. Marcus, J. Phys. Chem. 97, 13078 (1993), and references cited therein;
9. (c) for theoretical works on the electronic coupling of long range ET, see, for example. S. Larsson and M. Braga, Int. J. Quantum Biol. Symp. S20, 65 (1993) and references cited therein; J. Logan and M. D. Newton, J. Phys. Chem. 92, 3049 (1988); M. D. Newton, Chem. Rev. 91, 767 (1991), and references cited therein; J. R. Reimers and N. S. Hush. Chem. Phys. 146, 89 (1990); J. N. Onuchic, P. C. P. de Andrade, and D. N. Beratan, J. Chem. Phys. 95, 1131 (1991); P. Siddarth and R. A. Marcus, J. Phys. Chem. 97, 13078 (1993), and references cited therein;
10. (c) for theoretical works on the electronic coupling of long range ET, see, for example. S. Larsson and M. Braga, Int. J. Quantum Biol. Symp. S20, 65 (1993) and references cited therein; J. Logan and M. D. Newton, J. Phys. Chem. 92, 3049 (1988); M. D. Newton, Chem. Rev. 91, 767 (1991), and references cited therein; J. R. Reimers and N. S. Hush. Chem. Phys. 146, 89 (1990); J. N. Onuchic, P. C. P. de Andrade, and D. N. Beratan, J. Chem. Phys. 95, 1131 (1991); P. Siddarth and R. A. Marcus, J. Phys. Chem. 97, 13078 (1993), and references cited therein;
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21. Experimental investigations of electron transfer across self-assembled monolayers on electrode surfaces include those of J. N. Richardson, S.R. Peck, L. S. Curtin, L. M. Tender, R. H. Terrill, M. T. Carter, R. W. Murray, G. K. Rowe, and S. E. Creager, J. Phys. Chem. 99, 766 (1995); R. J. Forster and L. R. Faulkner, J. Am. Chem. Soc. 116, 5444 (1994); 116, 9411 (1994); J. F. Smalley, S. W. Feldberg, C. E. D. Chidsey, M. R. Linford, M. D. Newlon, and Y. P. Liu, J. Phys. Chem. 99, 13141 (1995); M. S. Ravenscroft, and H. O. Finklea, J. Phys. Chem. 98, 3843 (1994); Z. Q. Feng, S. Imabayashi, T. Kakiuchi, and K. Niki, J. Elec. Chem. 394, 149 (1995).
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23. Experimental investigations of electron transfer across self-assembled monolayers on electrode surfaces include those of J. N. Richardson, S.R. Peck, L. S. Curtin, L. M. Tender, R. H. Terrill, M. T. Carter, R. W. Murray, G. K. Rowe, and S. E. Creager, J. Phys. Chem. 99, 766 (1995); R. J. Forster and L. R. Faulkner, J. Am. Chem. Soc. 116, 5444 (1994); 116, 9411 (1994); J. F. Smalley, S. W. Feldberg, C. E. D. Chidsey, M. R. Linford, M. D. Newlon, and Y. P. Liu, J. Phys. Chem. 99, 13141 (1995); M. S. Ravenscroft, and H. O. Finklea, J. Phys. Chem. 98, 3843 (1994); Z. Q. Feng, S. Imabayashi, T. Kakiuchi, and K. Niki, J. Elec. Chem. 394, 149 (1995).
24. Experimental investigations of electron transfer across self-assembled monolayers on electrode surfaces include those of J. N. Richardson, S.R. Peck, L. S. Curtin, L. M. Tender, R. H. Terrill, M. T. Carter, R. W. Murray, G. K. Rowe, and S. E. Creager, J. Phys. Chem. 99, 766 (1995); R. J. Forster and L. R. Faulkner, J. Am. Chem. Soc. 116, 5444 (1994); 116, 9411 (1994); J. F. Smalley, S. W. Feldberg, C. E. D. Chidsey, M. R. Linford, M. D. Newlon, and Y. P. Liu, J. Phys. Chem. 99, 13141 (1995); M. S. Ravenscroft, and H. O. Finklea, J. Phys. Chem. 98, 3843 (1994); Z. Q. Feng, S. Imabayashi, T. Kakiuchi, and K. Niki, J. Elec. Chem. 394, 149 (1995).
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32. (a) For studies involving large scale Green's function calculations, see, for example, S. S. Skourtis, J. J. Regan, and J. N. Onuchic, J. Phys. Chem. 98, 3379 (1994); S. S. Skourtis and J. N. Onuchic, Chem. Phys. Lett. 209, 171 (1993); 211, 282 (1993); A. A. S. da Gama, J. Theor. Biol. 142, 251 (1990): M. A. Ratner, J. Phys. Chem. 94, 4877 (1990); J. Malinsky and Y. Magarshak, ibid. 92, 2849 (1992); J. W. Evenson and M. Karplus, Science 262, 1247 (1993);
33. (a) For studies involving large scale Green's function calculations, see, for example, S. S. Skourtis, J. J. Regan, and J. N. Onuchic, J. Phys. Chem. 98, 3379 (1994); S. S. Skourtis and J. N. Onuchic, Chem. Phys. Lett. 209, 171 (1993); 211, 282 (1993); A. A. S. da Gama, J. Theor. Biol. 142, 251 (1990): M. A. Ratner, J. Phys. Chem. 94, 4877 (1990); J. Malinsky and Y. Magarshak, ibid. 92, 2849 (1992); J. W. Evenson and M. Karplus, Science 262, 1247 (1993);
34. (a) For studies involving large scale Green's function calculations, see, for example, S. S. Skourtis, J. J. Regan, and J. N. Onuchic, J. Phys. Chem. 98, 3379 (1994); S. S. Skourtis and J. N. Onuchic, Chem. Phys. Lett. 209, 171 (1993); 211, 282 (1993); A. A. S. da Gama, J. Theor. Biol. 142, 251 (1990): M. A. Ratner, J. Phys. Chem. 94, 4877 (1990); J. Malinsky and Y. Magarshak, ibid. 92, 2849 (1992); J. W. Evenson and M. Karplus, Science 262, 1247 (1993);
35. (a) For studies involving large scale Green's function calculations, see, for example, S. S. Skourtis, J. J. Regan, and J. N. Onuchic, J. Phys. Chem. 98, 3379 (1994); S. S. Skourtis and J. N. Onuchic, Chem. Phys. Lett. 209, 171 (1993); 211, 282 (1993); A. A. S. da Gama, J. Theor. Biol. 142, 251 (1990): M. A. Ratner, J. Phys. Chem. 94, 4877 (1990); J. Malinsky and Y. Magarshak, ibid. 92, 2849 (1992); J. W. Evenson and M. Karplus, Science 262, 1247 (1993);
36. (a) For studies involving large scale Green's function calculations, see, for example, S. S. Skourtis, J. J. Regan, and J. N. Onuchic, J. Phys. Chem. 98, 3379 (1994); S. S. Skourtis and J. N. Onuchic, Chem. Phys. Lett. 209, 171 (1993); 211, 282 (1993); A. A. S. da Gama, J. Theor. Biol. 142, 251 (1990): M. A. Ratner, J. Phys. Chem. 94, 4877 (1990); J. Malinsky and Y. Magarshak, ibid. 92, 2849 (1992); J. W. Evenson and M. Karplus, Science 262, 1247 (1993);
37. (a) For studies involving large scale Green's function calculations, see, for example, S. S. Skourtis, J. J. Regan, and J. N. Onuchic, J. Phys. Chem. 98, 3379 (1994); S. S. Skourtis and J. N. Onuchic, Chem. Phys. Lett. 209, 171 (1993); 211, 282 (1993); A. A. S. da Gama, J. Theor. Biol. 142, 251 (1990): M. A. Ratner, J. Phys. Chem. 94, 4877 (1990); J. Malinsky and Y. Magarshak, ibid. 92, 2849 (1992); J. W. Evenson and M. Karplus, Science 262, 1247 (1993);
38. (a) For studies involving large scale Green's function calculations, see, for example, S. S. Skourtis, J. J. Regan, and J. N. Onuchic, J. Phys. Chem. 98, 3379 (1994); S. S. Skourtis and J. N. Onuchic, Chem. Phys. Lett. 209, 171 (1993); 211, 282 (1993); A. A. S. da Gama, J. Theor. Biol. 142, 251 (1990): M. A. Ratner, J. Phys. Chem. 94, 4877 (1990); J. Malinsky and Y. Magarshak, ibid. 92, 2849 (1992); J. W. Evenson and M. Karplus, Science 262, 1247 (1993);
39. (b) for other methods for long range ET, see A. Kuki and P. G. Wolynes, Science 236, 1647 (1987); L. S. Conrad, K. V. Mikklesen, M. K. Nielsen, and J. Ulstrup, Inorg. Chem, 29, 2808 (1990); S. F. Sneddon and C. L. Brooks, J. Am. Chem. Soc. 114, 8220 (1992); J. M. Gruschus and A. Kuki, J. Phys. Chem. 97, 5581 (1993); A. Okada, T. Kakitani, and J. Inoue, ibid. 99, 2946 (1995). among others.
40. (b) for other methods for long range ET, see A. Kuki and P. G. Wolynes, Science 236, 1647 (1987); L. S. Conrad, K. V. Mikklesen, M. K. Nielsen, and J. Ulstrup, Inorg. Chem, 29, 2808 (1990); S. F. Sneddon and C. L. Brooks, J. Am. Chem. Soc. 114, 8220 (1992); J. M. Gruschus and A. Kuki, J. Phys. Chem. 97, 5581 (1993); A. Okada, T. Kakitani, and J. Inoue, ibid. 99, 2946 (1995). among others.
41. (b) for other methods for long range ET, see A. Kuki and P. G. Wolynes, Science 236, 1647 (1987); L. S. Conrad, K. V. Mikklesen, M. K. Nielsen, and J. Ulstrup, Inorg. Chem, 29, 2808 (1990); S. F. Sneddon and C. L. Brooks, J. Am. Chem. Soc. 114, 8220 (1992); J. M. Gruschus and A. Kuki, J. Phys. Chem. 97, 5581 (1993); A. Okada, T. Kakitani, and J. Inoue, ibid. 99, 2946 (1995). among others.
42. (b) for other methods for long range ET, see A. Kuki and P. G. Wolynes, Science 236, 1647 (1987); L. S. Conrad, K. V. Mikklesen, M. K. Nielsen, and J. Ulstrup, Inorg. Chem, 29, 2808 (1990); S. F. Sneddon and C. L. Brooks, J. Am. Chem. Soc. 114, 8220 (1992); J. M. Gruschus and A. Kuki, J. Phys. Chem. 97, 5581 (1993); A. Okada, T. Kakitani, and J. Inoue, ibid. 99, 2946 (1995). among others.
43. (b) for other methods for long range ET, see A. Kuki and P. G. Wolynes, Science 236, 1647 (1987); L. S. Conrad, K. V. Mikklesen, M. K. Nielsen, and J. Ulstrup, Inorg. Chem, 29, 2808 (1990); S. F. Sneddon and C. L. Brooks, J. Am. Chem. Soc. 114, 8220 (1992); J. M. Gruschus and A. Kuki, J. Phys. Chem. 97, 5581 (1993); A. Okada, T. Kakitani, and J. Inoue, ibid. 99, 2946 (1995). among others.
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