Observation of dynamic solvent effect for electron tunneling in U-shaped molecules

Journal of the American Chemical Society

Volumn 126, Issue 34, 2004, Pages 10778-10786

  Liu, Min ^a   Waldeck, David H ^a   Oliver, Anna M ^b   Head, Nicholas J ^b   Paddon Row, Michael N ^b  

^a UNIVERSITY OF PITTSBURGH   (United States)

^b UNIVERSITY OF NEW SOUTH WALES   (Australia)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRON TUNNELING; ELECTRONS; FRICTION; HIGH TEMPERATURE APPLICATIONS; RATE CONSTANTS; SOLVENTS;

ELECTRON-TRANSFER; FRICTIONAL COUPLING; N-METHYLACETAMIDE (NMA); NONADIABATIC MODEL; U-SHAPED MOLECULES;

MOLECULAR DYNAMICS;

ACETONITRILE; N METHYLACETAMIDE; SOLVENT;

ARTICLE; CHEMICAL ANALYSIS; CHEMICAL REACTION; DYNAMICS; ELECTRON TRANSPORT; HIGH TEMPERATURE; LOW TEMPERATURE; MEASUREMENT; PARAMETER; REACTION ANALYSIS; REACTION TIME; SOLUTE; SOLVENT EFFECT; TEMPERATURE DEPENDENCE; THEORETICAL MODEL;

EID: 4344592351     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja049539d     Document Type: Article

References (42)

1. Napper, A. M.; Head N. J.; Oliver A. M.; Shephard, M. J.; Paddon-Row, M. N.; Read, I.; Waldeck, D. H. J. Am. Chem. Soc. 2002, 124, 10171.
2. Napper, A M.; Read, I.; Waldeck, D. H.; Head, N. J.; Oliver, A. M.; Paddon-Row, M. N. J. Am. Chem. Soc. 2000, 122, 5220.
3. (a) Jortner, J. J. Chem. Phys 1976, 64, 4860.
4. (b) Barbara, P. F.; Meyer, T. J.; Ratner, M. A. J. Phys. Chem. 1996, 100, 13148.
5. Waldeck, D. H.; Zimmt, M. B. J. Phys. Chem. B 2003, 107, 3580.
6. Matyushov, D. V.; Voth, G. A. J. Chem. Phys. 1999, 111, 3630.
7. Maroncelli, M. J. Mol. Liq. 1993, 57, 1.
8. (a) Chapman, C. F.; Fee, R. S.; Maroncelli, M. J. Phys. Chem. 1990, 94, 4929.
9. (b) Castner, E. W.; Maroncelli, M. J. Mol. Liq. 1998, 77 1.
10. (a) Kojima, T.; Kawabe, K. Technol. Rep. Osaka Univ. 1973, 23, 187.
11. (b) Kojima, T.; Kawabe, K. Oyo Butsuri 1973, 42, 9.
12. (a) Zusman, L. D. Chem. Phys. 1980, 49, 295.
13. (b) Zusman, L. D. Z. Phys. Chem. 1994, 186, 1.
14. (a) Calef, D. F.; Wolynes, P. G. J. Phys. Chem. 1983, 87, 3387.
15. (b) Rips, I.; Jortner, J. Chem. Phys. Lett. 1987, 133, 411.
16. (a) Sumi, H.; Marcus, R. A. J. Chem. Phys 1986, 84, 4272.
17. (b) Sumi, H.; Marcus, R. A. J. Chem. Phys 1986, 84, 4894.
18. (c) Marcus, R. A.; Sumi, H. J. Electroanal. Chem. 1986, 204, 59.
19. (d) Sumi, H. In Electron Transfer in Chemistry; Balzani, V. Ed; Wiley-VCH: New York, 2001; Vol. 1, p 64.
20. (a) Onuchic, J. N. J. Chem. Phys. 1987, 86, 3925.
21. (b) Tanimura, Y.; Leite, B. P.; Onuchic, J. N. J. Chem. Phys. 2002, 117, 2172.
22. (c) Onuchic, J. N.; Beratan, D. N.; Hopfield, J. J. J. Phys. Chem. 1986, 90, 3707.
23. v/2hv).
24. (a) Berezhkovskii, A. M.; Zitserman, V. Y. Physica A 1990, 166, 585.
25. (b) Berezhkovskii, A. M.; Zitserman, V. Y. Chem. Phys. Lett. 1990, 172, 235.
26. (c) Waldeck, D. H. J. Mol. Liq. 1993, 57, 127.
27. (a) Maroncelli, M.; MacInnis, J.; Fleming, G. R. Science 1989, 243, 1674.
28. (b) Barbara, P. F.; Walker, G. C.; Smith, T. P. Science 1992, 256, 975.
29. (c) Castner, E. W.; Bagchi, B.; Fleming, G. R. Chem. Phys. Lett. 1988, 143, 270.
30. (d) Van der Zwan, G.; Hynes, J. T. J. Phys. Chem. 1985, 89, 4181.
31. (e) Bagchi, B.; Oxtoby, D. W.; Fleming, G. R. Chem. Phys. 1984, 86, 257.
32. Head, N. J.; Oliver, A. M.; Look, K.; Lokan, N. R.; Jones, G. A.; Paddon-Row, M. N. Angew. Chem., Int. Ed. 1999, 38, 3219.
33. The molecular structures for the donor-only compounds may be found in ref 1.
34. (a) Gaines, G. L., III; O'Neil, M. P.; Svec. W. A.; Niemczyk, M. P.; Wasielewski, M. R. J. Am. Chem. Soc. 1991, 113, 719.
35. (b) Miller, J. R. Science 1975, 189, 221.
36. Knecht, L. A. Pure Appl. Chem. 1971, 27, 281.
37. (a) Waldeck, D. H. Chem. Rev. 1991, 91, 415.
38. (b) Weaver, M. J. Chem. Rev. 1992, 92, 463.
39. All calculations reported in this paper were carried out at the B3LYP/631G(d) level of theory using the GAUSSIAN 98 package: Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Zakrzewski, V. G.; Montgomery, J. A., Jr.; Stratmann, R. E.; Burant, J. C.; Dapprich, S.; Millam, J. M.; Daniels, A. D.; Kudin, K. N.; Strain, M. C.; Farkas, O.; Tomasi, J.; Barone, V.; Cossi, M.; Cammi, R.; Mennucci, B.; Pomelli, C.; Adamo, C.; Clifford, S.; Ochterski, J.; Petersson, G. A.; Ayala, P. Y.; Cui, Q.; Morokuma, K.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Cioslowski, J.; Ortiz, J. V.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Gonzalez, C.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Andres, J. L.; Gonzalez, C.; Head-Gordon, M.; Replogle, E. S.; Pople, J. A. Gaussian 98, Revision A.7; Gaussian Inc: Pittsbugh, PA, 1998.
40. (a) Davidson, V. L. Acc. Chem. Res. 2000, 33, 87.
41. (b) Davidson, V. L. Biochemistry 2000, 39, 4924.
42. (c) Jeuken, L. J. C. Biochim. Biophys. Acta-Bioenergetics 2003, 1604, 67.