Non-exponential distance dependence of bridge-mediated electronic coupling

Angewandte Chemie - International Edition

Volumn 45, Issue 34, 2006, Pages 5626-5629

  Eng, Mattias P ^a   Albinsson, Bo ^a  

^a CHALMERS UNIVERSITY OF TECHNOLOGY   (Sweden)

Author keywords

Conjugation; Density functional calculations; Donor acceptor systems; Electron transfer; Electron tunneling

Indexed keywords

CHROMOPHORES; ENERGY GAP; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; OLIGOMERS;

DENSITY FUNCTIONAL CALCULATIONS; DONOR-ACCEPTOR SYSTEMS; ELECTRON TRANSFER; ELECTRONIC COUPLING;

COUPLINGS;

EID: 33748556598     PISSN: 14337851     EISSN: None     Source Type: Journal    
DOI: 10.1002/anie.200601379     Document Type: Article

References (20)

1. S. Creager, C. J. Yu, C. Bamdad, S. O'Connor, T. MacLean, E. Lam, Y. Chong, G. T. Olsen, J. Y. Luo, M. Gozin, J. F. Kayyem, J. Am. Chem. Soc. 1999, 121, 1059-1064.
2. A. Harriman, A. Khatyr, R. Ziessel, A. C. Benniston, Angew. Chem. 2000, 112, 4457-4460;
3. Angew. Chem. Int. Ed. 2000, 39, 4287-4290.
4. A. Helms, D. Heiler, G. McLendon, J. Am. Chem. Soc. 1992, 114, 6227-6238.
5. S. B. Sachs, S. P. Dudek, R. P. Hsung, L. R. Sita, J. F. Smalley, M. D. Newton, S. W. Feldberg, C. E. D. Chidsey, J. Am. Chem. Soc. 1997, 119, 10 563-10 564.
6. J. F. Smalley, S. B. Sachs, C. E. D. Chidsey, S. P. Dudek, H. D. Sikes, S. E. Creager, C. J. Yu, S. W. Feldberg, M. D. Newton, J. Am. Chem. Soc. 2004, 126, 14620-14630.
7. H. McConnell, J. Chem. Phys. 1961, 35, 508.
8. K. Kilså, J. Kajanus, A. N. Macpherson, J. Mårtensson, B. Albinsson, J. Am. Chem. Soc. 2001, 123, 3069-3080.
9. M. P. Eng, T. Ljungdahl, J. Mårtensson, B. Albinsson, J. Phys. Chem. B 2006, 110, 6483-6491.
10. K. Pettersson, A. Kyrychenko, E. Rönnow, T. Ljungdahl, J. Mårtensson, B. Albinsson, J. Phys. Chem. A 2006, 110, 310-318.
11. K. Pettersson, J. Wiberg, T. Ljungdahl, J. Mårtensson, B. Albinsson, J. Phys. Chem. A 2006, 110, 319-326.
12. M. J. Frisch, et al., see reference [1] in Supporting Information, Gaussian, Inc., Pittsburgh PA, 2003.
13. 0 = 6.9 Å (estimated from calculations).
14. G. Garnov, Nature 1928, 122, 805-806.
15. W. B. Davis, W. A. Svec, M. A. Ratner, M. R. Wasielewski, Nature 1998, 396, 60-63.
16. R. H. Goldsmith, L. E. Sinks, R. F. Kelley, L. J. Betzen, W. Liu, E. A. Weiss, M. A. Ratner, M. R. Wasielewski, Proc. Natl. Acad. Sci. USA 2005, 102, 3540-3545.
17. F. Giacalone, J. L. Segura, N. Martin, J. Ramey, D. M. Guldi, Chem. Eur. J. 2005, 11, 4819-4834.
18. S. O. Kelley, J. K. Barton, Chem. Biol. 1998, 5, 413-425.
19. F. D. Lewis, J. Q. Liu, W. Weigel, W. Rettig, I. V. Kurnikov, D. N. Beratan, Proc. Natl. Acad. Sci. USA 2002, 99, 12 536-12 541.
20. It should be noted that the experimentally determined β values are averages of the conformational distribution of the OPE bridge whereas the values in this article are calculated for planar bridges. Please see reference [8] for a discussion.