Excitation energy transfer (EET) between molecules in condensed matter: A novel application of the polarizable continuum model (PCM)

Journal of Chemical Physics

Volumn 120, Issue 15, 2004, Pages 7029-7040

  Iozzi, Maria Francesca ^a   Mennucci, Benedetta ^a   Tomasi, Jacopo ^a   Cammi, Roberto ^b  

^a UNIVERSITY OF PISA   (Italy)

^b UNIVERSITY OF PARMA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION; CONDENSATION; DIELECTRIC MATERIALS; ELECTRODYNAMICS; ETHYLENE; FLUORESCENCE; INTEGRAL EQUATIONS; NAPHTHALENE; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY; RESONANCE; SCREENING; SOLVENTS;

EXCITATION ENERGY TRANSFER (EET); INTEGRAL EQUATION FORMALISM (IEF); QUANTUM ELECTRODYNAMICS (QED); RESONANCE ENERGY TRANSFER (RET);

ENERGY TRANSFER;

EID: 84962419783     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1669389     Document Type: Article

References (64)

1. R. van Grondelle, J. P. Dekker, T. Gillbro, and V. Sundström, Biochim. Biophys. Acta 1187, 1 (1994); V. Sundström, T. Pullerits, and R. van Grondelle, J. Phys. Chem. B 102, 2327 (1999).
2. R. van Grondelle, J. P. Dekker, T. Gillbro, and V. Sundström, Biochim. Biophys. Acta 1187, 1 (1994); V. Sundström, T. Pullerits, and R. van Grondelle, J. Phys. Chem. B 102, 2327 (1999).
3. X. Hu and K. Schulten, Phys. Today 50, 28 (1997); X. Hu, A. Damjanović, T. Ritz, and K. Schulten, Proc. Natl. Acad. Sci. U.S.A. 95, 5935 (1998).
4. X. Hu and K. Schulten, Phys. Today 50, 28 (1997); X. Hu, A. Damjanović, T. Ritz, and K. Schulten, Proc. Natl. Acad. Sci. U.S.A. 95, 5935 (1998).
5. Y. Cao, I. D. Parker, G. Yu, C. Zhang, and A. J. Heeger, Nature (London) 397, 414 (1999); R. H. Friend, R. W. Gymer, A. B. Holmes et al., ibid. 397, 121 (1999).
6. Y. Cao, I. D. Parker, G. Yu, C. Zhang, and A. J. Heeger, Nature (London) 397, 414 (1999); R. H. Friend, R. W. Gymer, A. B. Holmes et al., ibid. 397, 121 (1999).
7. A. Saldo, M. E. Thompson, and S. R. Forrest, Nature (London) 403, 750 (2000); J. Pei, X.-L. Liu, W.-L. Yu, Y.-H. Lai, Y.-H. Niu, and Y. Cao, Macromolecules 35, 7274 (2002).
8. A. Saldo, M. E. Thompson, and S. R. Forrest, Nature (London) 403, 750 (2000); J. Pei, X.-L. Liu, W.-L. Yu, Y.-H. Lai, Y.-H. Niu, and Y. Cao, Macromolecules 35, 7274 (2002).
9. Th. Förster, Ann. Phys. (Paris) 2, 55 (1948).
10. P. R. Selvin, Methods Enzymol. 246, 300 (1995).
11. C. G. dos Remedios and P. D. Moens, J. Struct. Biol. 115, 175 (1995).
12. D. L. Dexter, J. Chem. Phys. 21, 836 (1953).
13. G. D. Scholes, Annu. Rev. Phys. Chem. 54, 57 (2003).
14. R. S. Knox and H. van Amerongen, J. Phys. Chem. B 106, 5289 (2002).
15. G. Juzeliūnas and D. L. Andrews, Phys. Rev. B 49, 8751 (1994); 50, 13371 (1994); J. Lumin. 60/61, 834 (1994).
16. G. Juzeliūnas and D. L. Andrews, Phys. Rev. B 49, 8751 (1994); 50, 13371 (1994); J. Lumin. 60/61, 834 (1994).
17. G. Juzeliūnas and D. L. Andrews, Phys. Rev. B 49, 8751 (1994); 50, 13371 (1994); J. Lumin. 60/61, 834 (1994).
18. V. M. Agranovich and M. D. Galanin, Electronic Excitation Transfer in Condensed Matter (North-Holland, Amsterdam, 1982).
19. S. Tretiak, C. Middleton, V. Chernyak, and S. Mukamel, J. Phys. Chem. B 104, 9540 (2000).
20. C. Hsu, G. R. Fleming, M. Head-Gordon, and T. Head-Gordon, J. Chem. Phys. 114, 3065 (2001).
21. E. Cancès and B. Mennucci, J. Math. Chem. 23, 309 (1998); E. Cancès, B. Mennucci, and J. Tomasi, J. Chem. Phys. 107, 3032 (1997); B. Mennucci, E. Cancès, and J. Tomasi, J. Phys. Chem. B 101, 10506 (1997).
22. E. Cancès and B. Mennucci, J. Math. Chem. 23, 309 (1998); E. Cancès, B. Mennucci, and J. Tomasi, J. Chem. Phys. 107, 3032 (1997); B. Mennucci, E. Cancès, and J. Tomasi, J. Phys. Chem. B 101, 10506 (1997).
23. E. Cancès and B. Mennucci, J. Math. Chem. 23, 309 (1998); E. Cancès, B. Mennucci, and J. Tomasi, J. Chem. Phys. 107, 3032 (1997); B. Mennucci, E. Cancès, and J. Tomasi, J. Phys. Chem. B 101, 10506 (1997).
24. S. Miertuš, E. Scrocco, and J. Tomasi, Chem. Phys. 55, 117 (1981); R. Cammi and J. Tomasi, J. Comput. Chem. 16, 1449 (1995).
25. S. Miertuš, E. Scrocco, and J. Tomasi, Chem. Phys. 55, 117 (1981); R. Cammi and J. Tomasi, J. Comput. Chem. 16, 1449 (1995).
26. R. Cammi and B. Mennucci, J. Chem. Phys. 110, 9877 (1999).
27. R. Cammi, B. Mennucci, and J. Tomasi, J. Phys. Chem. A 104, 5631 (2000).
28. J. Tomasi and M. Persico, Chem. Rev. 94, 2027 (1994).
29. C. J. Cramer and D. G. Truhlar, Chem. Rev. 99, 2161 (1999).
30. R. Cammi and J. Tomasi, Int. J. Quantum Chem., Quantum Chem. Symp. 29, 465 (1995); B. Mennucci, R. Cammi, and J. Tomasi, J. Chem. Phys. 109, 2798 (1998).
31. R. Cammi and J. Tomasi, Int. J. Quantum Chem., Quantum Chem. Symp. 29, 465 (1995); B. Mennucci, R. Cammi, and J. Tomasi, J. Chem. Phys. 109, 2798 (1998).
32. D. E. Beskos, Boundary Element Methods in Mechanics (North-Holland, Amsterdam, 1997).
33. J. L. Pascual-Ahuir, E. Silla, J. Tomasi, and R. Bonaccorsi, J. Comput. Chem. 8, 778 (1987); J. L. Pascual-Ahuir and E. Silla, Ibid. 11, 1047 (1990); J. L. Pascual-Ahuir, E. Silla, and I. Tuñón, ibid. 15, 1127 (1994).
34. J. L. Pascual-Ahuir, E. Silla, J. Tomasi, and R. Bonaccorsi, J. Comput. Chem. 8, 778 (1987); J. L. Pascual-Ahuir and E. Silla, Ibid. 11, 1047 (1990); J. L. Pascual-Ahuir, E. Silla, and I. Tuñón, ibid. 15, 1127 (1994).
35. J. L. Pascual-Ahuir, E. Silla, J. Tomasi, and R. Bonaccorsi, J. Comput. Chem. 8, 778 (1987); J. L. Pascual-Ahuir and E. Silla, Ibid. 11, 1047 (1990); J. L. Pascual-Ahuir, E. Silla, and I. Tuñón, ibid. 15, 1127 (1994).
36. M. J. Frisch, G. W. Trucks, H. B. Schlegel et al., GAUSSIAN 03, Revision A.1, Gaussian, Inc., Pittsburgh PA, 2003.
37. R. Bauernschmitt and R. Ahlrichs, Chem. Phys. Lett. 256, 454 (1996).
38. R. E. Stratmann, G. E. Scuseria, and M. J. Frisch, J. Chem. Phys. 109, 8218 (1998).
39. M. E. Casida, C. Jamorski, K. C. Casida, and D. R. Salahub, J. Chem. Phys. 108, 4439 (1998).
40. G. D. Scholes and K. P. Ghiggino, J. Phys. Chem. 98, 4580 (1994); R. D. Harcourt, G. D. Scholes, and K. P. Ghiggino, J. Chem. Phys. 101, 10521 (1994); G. D. Scholes, R. D. Harcourt, and K. P. Ghiggino, ibid. 102, 9574 (1995); R. D. Harcourt, K. P. Ghiggino, G. D. Scholes, and R. P. Steer, ibid. 109, 1310 (1998).
41. G. D. Scholes and K. P. Ghiggino, J. Phys. Chem. 98, 4580 (1994); R. D. Harcourt, G. D. Scholes, and K. P. Ghiggino, J. Chem. Phys. 101, 10521 (1994); G. D. Scholes, R. D. Harcourt, and K. P. Ghiggino, ibid. 102, 9574 (1995); R. D. Harcourt, K. P. Ghiggino, G. D. Scholes, and R. P. Steer, ibid. 109, 1310 (1998).
42. G. D. Scholes and K. P. Ghiggino, J. Phys. Chem. 98, 4580 (1994); R. D. Harcourt, G. D. Scholes, and K. P. Ghiggino, J. Chem. Phys. 101, 10521 (1994); G. D. Scholes, R. D. Harcourt, and K. P. Ghiggino, ibid. 102, 9574 (1995); R. D. Harcourt, K. P. Ghiggino, G. D. Scholes, and R. P. Steer, ibid. 109, 1310 (1998).
43. G. D. Scholes and K. P. Ghiggino, J. Phys. Chem. 98, 4580 (1994); R. D. Harcourt, G. D. Scholes, and K. P. Ghiggino, J. Chem. Phys. 101, 10521 (1994); G. D. Scholes, R. D. Harcourt, and K. P. Ghiggino, ibid. 102, 9574 (1995); R. D. Harcourt, K. P. Ghiggino, G. D. Scholes, and R. P. Steer, ibid. 109, 1310 (1998).
44. Ref. (c) in Ref. 28.
45. C. J. F. Böttcher, Theory of electric polarization, Vol. I, (Elsevier, Amsterdam, 1973); C. J. F. Böttcher and P. Bordewijk, Theory of electric polarization, Vol. II, (Elsevier, Amsterdam, 1978).
46. C. J. F. Böttcher, Theory of electric polarization, Vol. I, (Elsevier, Amsterdam, 1973); C. J. F. Böttcher and P. Bordewijk, Theory of electric polarization, Vol. II, (Elsevier, Amsterdam, 1978).
47. H. L. Friedman, Mol. Phys. 29, 1533 (1975).
48. J. C. Slater, Phys. Rev. 81, 385 (1951); S. H. Vosko, L. Wilk, and M. Nusair, Can. J. Chem. 58, 1200 (1980).
49. J. C. Slater, Phys. Rev. 81, 385 (1951); S. H. Vosko, L. Wilk, and M. Nusair, Can. J. Chem. 58, 1200 (1980).
50. A. D. Becke, Phys. Rev. A 38, 3098 (1988); C. Lee, W. Yang, and R. G. Parr, Phys. Rev. B 37, 785 (1988).
51. A. D. Becke, Phys. Rev. A 38, 3098 (1988); C. Lee, W. Yang, and R. G. Parr, Phys. Rev. B 37, 785 (1988).
52. A. D. Becke, J. Chem. Phys. 98, 5648 (1993).
53. G. D. Scholes and K. P. Ghiggino, J. Phys. Chem. 98, 4580 (1994).
54. C. Adamo, G. E. Scuseria, and V. Barone, J. Chem. Phys. III, 2889 (1999).
55. R. Cammi, B. Mennucci, and J. Tomasi, J. Phys. Chem. A 102, 870 (1998); 104, 4690 (2000).
56. R. Cammi, B. Mennucci, and J. Tomasi, J. Phys. Chem. A 102, 870 (1998); 104, 4690 (2000).
57. R. Cammi, C. Cappelli, S. Corni, and J. Tomasi, J. Phys. Chem. A 104, 9874 (2000); S. Corni, C. Cappelli, R. Cammi, and J. Tomasi, ibid. 105, 8310 (2001).
58. R. Cammi, C. Cappelli, S. Corni, and J. Tomasi, J. Phys. Chem. A 104, 9874 (2000); S. Corni, C. Cappelli, R. Cammi, and J. Tomasi, ibid. 105, 8310 (2001).
59. J. E. Ridley and M. C. Zerner, Theor. Chim. Acta 32, 111 (1973); A. D. Bacon and M. C. Zerner, ibid. 53, 21 (1979); M. C. Zerner, G. H. Lowe, R. F. Kirchner, and U. T. Mueller-Westerhoff, J. Am. Chem. Soc. 102, 589 (1980).
60. J. E. Ridley and M. C. Zerner, Theor. Chim. Acta 32, 111 (1973); A. D. Bacon and M. C. Zerner, ibid. 53, 21 (1979); M. C. Zerner, G. H. Lowe, R. F. Kirchner, and U. T. Mueller-Westerhoff, J. Am. Chem. Soc. 102, 589 (1980).
61. J. E. Ridley and M. C. Zerner, Theor. Chim. Acta 32, 111 (1973); A. D. Bacon and M. C. Zerner, ibid. 53, 21 (1979); M. C. Zerner, G. H. Lowe, R. F. Kirchner, and U. T. Mueller-Westerhoff, J. Am. Chem. Soc. 102, 589 (1980).
62. P. Wu and L. Brand, Anal. Biochem. 218, 1 (1994); L. M. S. Loura, A. Fedorov, and M. Prieto, J. Phys. Chem. B 104, 6920 (2000).
63. P. Wu and L. Brand, Anal. Biochem. 218, 1 (1994); L. M. S. Loura, A. Fedorov, and M. Prieto, J. Phys. Chem. B 104, 6920 (2000).
64. B. Mennucci, R. Cammi, and J. Tomasi (unpublished).