Toward a molecular scale interpretation of excitation energy transfer in solvated bichromophoric systems

Journal of the American Chemical Society

Volumn 127, Issue 47, 2005, Pages 16733-16744

  Curutchet, Carles ^a   Mennucci, Benedetta ^a  

^a UNIVERSITY OF PISA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRIC EXCITATION; MOLECULAR DYNAMICS; NAPHTHALENE;

EXCITATION ENERGY TRANSFER (EET); GAS PHASE; QUANTUM-MECHANICAL STUDY; THROUGH-SPACE EFFECTS;

ENERGY TRANSFER;

NAPHTHALENE DERIVATIVE;

ARTICLE; CHEMICAL BINDING; CHEMICAL MODIFICATION; CHROMATOPHORE; ENERGY TRANSFER; EXCITATION ENERGY TRANSFER; GAS ANALYSIS; MOLECULAR MODEL; QUANTUM MECHANICS; SOLVATION; STRUCTURE ANALYSIS;

EID: 84962427394     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja055489g     Document Type: Article

References (74)

1. Fleming, G. R.; Scholes, G. D. Nature 2004, 431, 256.
2. Forster, T. Annalen der Physik 1948, 2, 55.
3. Scholes, G. D. Annu. Rev. Phys. Chem. 2003, 54, 57.
4. (a) Resonance Energy Transfer. Andrews, D. L., Demidov, A. A., Eds.; Wiley: New York. 1999.
5. (b) May, V.: Kühn, O. Charge and Energy-Transfer Dynamics in Molecular Systems: Wiley-VCH: Berlin, 2000.
6. Dexter, D. L. J. Chem. Phys. 1953, 21, 836.
7. (a) Monberg, E. M.; Kopelman, R. Chem. Phys. Lett. 1978, 58, 492.
8. (b) Klafter, J.; Jortner, J. Chem. Phys. Lett. 1978, 60, 5.
9. (a) McConnell, H. M. J. Chem. Phys. 1961, 35, 508.
10. (b) Hoffmann, R.; Imamura, A.; Hehre, W. J. J. Am. Chem. Soc. 1967, 90, 1499.
11. (c) Hoffmann, R. Acc. Chem. Res. 1971, 4, 19.
12. (a) Paddon-Row, M. N. Acc. Chem. Res. 1982, 15, 245.
13. (b) Paddon-Row, M. N.; Wong, S. S.; Jordan, K. D. J. Am. Chem. Soc. 1990, 112, 1710.
14. (c) Jordan, K. D.; Paddon-Row, M. N. Chem. Rev. 1992, 92, 395.
15. (d) Shephard, M. J.; Paddon-Row, M. N.; Jordan, K. D. J. Am. Chem. Soc. 1994, 116, 5328.
16. Speiser, S. Chem. Rev. 1996, 96, 1953.
17. Speiser, S. J. Lumin. 2003, 102, 267.
18. Scholes, G. D.; Ghiggino, K. P.; Oliver, A. M.; Paddon-Row, M. N. J. Am. Chem. Soc. 1993, 115, 4345.
19. Clayton, A. H. A.; Ghiggino, K. P.; Lawson, J. M.; Paddon-Row, M. N. J. Photochem. Photobiol., A 1994, 80, 323.
20. Scholes, G. D.; Turner, G. O.; Ghiggino, K. P.; Paddon-Row, M. N.; Piet, J. J.; Schuddeboom, W.; Warman, J. M. Chem. Phys. Lett. 1998, 292, 601.
21. Clayton, A. H. A.; Scholes, G. D.; Ghiggino, K. P.; Paddon-Row, M. N. J. Phys. Chem. 1996, 100, 10912.
22. Tretiak, S.; Zhang, W. M.; Chernyak, V.; Mukamel, S. Proc. Natl. Acad. Sci. U.S.A. 1999, 96, 13003.
23. Tretiak, S.; Mukamel, S. Chem. Rev. 2002, 102, 3171.
24. (a) McWeeny, R. Methods of Molecular Quantum Mechanics, 2nd ed.; Academic: London, 1992.
25. (b) Olsen, J.; Jorgensen, P. In Modern Electronic Structure Theory, Part II; Yarkony, D. R., Ed.; World Scientific: Singapore, 1995.
26. Knox, R. S.; van Amerongen, H. J. Phys. Chem. B 2002, 106, 5289.
27. (b) Knox, R. S. Photochem. Photobiol. 2003, 77, 492.
28. Tretiak, S.; Chernyak, V.; Mukamel, S. J. Phys. Chem. B 1998, 102, 3310.
29. Tretiak, S.; Middleton, C.; Chernyak, V.; Mukamel, S. J. Phys. Chem. B 2000, 104, 9540.
30. (a) Ottonelli, M.; Musso, G.; Comoretto, D.; Dellepiane, G. J. Phys. Chem. B 2005, 109, 5485.
31. (b) Ortiz, W.; Roitberg, A. E.; Krause, J. L. J. Phys. Chem. B 2004, 108, 8218.
32. (c) Jordanides, X. J.; Scholes, G. D.; Shapley, W. A.; Reimers, J. R.; Fleming, G. R. J. Phys. Chem. B 2004, 108, 1753.
33. (d) Ng, M.-F.; Zhao, Y.; Chen, G.-H. J. Phys. Chem. B 2003, 107, 9589.
34. (a) Bacon, A. D.; Zerner, M. C. Theor. Chim. Acta 1979, 53, 21.
35. (b) Correa de Mello, P.; Hehenberger, M.; Zerner, M. C. Int. J. Quantum Chem. 1982, 21, 251.
36. (c) Zerner, M. C. J. Chem. Phys. 1975, 62 (7), 2788.
37. (d) Zerner, M. C. Reviews in Computational Chemistry, Lipkowitz, K. B., Boyd, D. B., Eds.; VCH Publishing: New York, 1991; Vol. 2, p 313.
38. (a) Scholes, G. D.; Gould, I. R.; Cogdell, R. J.; Fleming, G. R. J. Phys. Chem. B 1999, 103, 2543.
39. (b) Krueger, B. P.; Scholes, G. D.; Fleming, G. R. J. Phys. Chem. B 1998, 102, 5378.
40. (a) Hsu, C.-P.; Walla, P. J.; Head-Gordon, M.; Fleming, G. R. J. Phys. Chem. B 2001, 105, 11016.
41. (b) Dreuw, A.; Fleming, G. R.; Head-Gordon, M. J. Phys. Chem. B 2003, 107, 6500.
42. (c) Dreuw, A.; Fleming, G. R.; Head-Gordon, M. Phys. Chem. Chem. Phys. 2003, 5, 3247.
43. (d) Dreuw, A.; Head-Gordon, M. J. Am. Chem. Soc. 2004, 126, 4007.
44. (a) Yamaguchi, Y.; Yokomichi, Y.; Yokoyama, S.; Mashiko, S. Int. J. Quantum Chem. 2001, 84, 338.
45. (b) Yamaguchi, Y.; Yokoyama, S.; Mashiko, S. J. Chem. Phys. 2002, 116, 6541
46. Polivka, T.; Zigmantas, D.; Herek, J. L.; He, Z.; Pascher, T.; Pulleritis, T.; Cogdell, R. J.; Frank, H. A.; Sundstrom, V. J. Phys. Chem. B 2002, 106, 11016
47. (a) Hirata, S.; Head-Gordon, M. Chem. Phys. Lett. 1999, 314, 291.
48. (b) Foresman, J. B.; Head-Gordon, M.; Pople, J. A.; Frisch, M. J. J. Phys. Chem. 1992, 96, 135.
49. (a) Casida, M. E. In Recent Advances in Density Functional Methods; Chong, D. P., Ed.; World Scientific: Singapore, 1995; Part I.
50. (b) Gross, E. U. K.; Dobson, J. F.; Petersilka, M. In Density Functional Theory II; Nalewajski, R. F., Ed.; Springer: Heidelberg, 1996.
51. (a) Cammi, R.; Mennucci, B. J. Chem. Phys. 1999, 110, 9877.
52. (b) Cammi, R.; Mennucci, B.; Tomasi, J. J. Phys. Chem. A 2000, 104, 5631.
53. Caricato, M.; Mennucci, B.; Tomasi, J. J. Phys. Chem. A 2004, 108, 6248.
54. (a) Cancès, E.; Mennucci, B. J. Math. Chem. 1998, 23, 309.
55. (b) Cancès, E.; Mennucci, B.; Tomasi, J. J. Chem. Phys. 1997, 107, 3031.
56. (c) Mennucci, B.; Cancès, E.; Tomasi, J. J. Phys. Chem. B 1997, 101, 10506.
57. (a) Miertus, S.; Scrocco, E.; Tomasi, J. Chem. Phys. 1981, 55, 117.
58. (b) Cammi, R.; Tomasi, J. J. Comput. Chem. 1995, 16, 1449.
59. Tomasi, J.; Mennucci, B.; Cammi, R. Chem. Rev. 2005, 105, 2999.
60. Iozzi, M. F.; Mennucci, B.; Tomasi, J.; Cammi, R. J. Chem. Phys. 2004, 120, 7029.
61. Hsu, C.-P.; Fleming, G. R.; Head-Gordon, M.; Head-Gordon, T. J. Chem. Phys. 2001, 114, 3065.
62. (a) Becke, A. D. J. Chem. Phys. 1993, 98, 5648.
63. (b) Lee, C.; Yang, W.; Parr, R. G. Phys. Rev. B 1988, 37, 785.
64. Bondi, A. J. Phys. Chem. 1964, 68, 441.
65. Tomasi, J.; Persico, M. Chem. Rev. 1994, 94, 2027.
66. Frisch, M. J. et al. Gaussian 03, revision C.02; Gaussian, Inc.: Pittsburgh, PA, 2003.
67. George, G. A.; Morris, G. C. J. Mol. Spectrosc. 1968, 26, 67.
68. Klevens, H. B.; Platt, J. R. J. Chem. Phys. 1949, 17, 470.
69. (a) Heinze, H. H.; Gorling, A.; Rosch, N. J. Chem. Phys. 2000, 113, 2088.
70. (b) Adamo, C.; Scuseria, G. E.; Barone, V. J. Chem. Phys. 1999. 111, 2889.
71. McConnell, H. M. J. Chem. Phys. 1961, 35, 508.
72. Cai, Z.-L.; Sendt, K.; Reimers, J. R. J. Chem. Phys. 2002, 117, 5543.
73. Hamprecht, F. A.; Cohen, A. J.; Tozer, D. J.; Handy, N. C. J. Chem. Phys. 1998, 109, 6264.
74. Dreuw, A.; Weisman, J. L.; Head-Gordon, M. J. Chem. Phys. 2003, 119, 2943.