A theoretical insight into the photophysics of psoralen

Journal of Chemical Physics

Volumn 124, Issue 12, 2006, Pages

  Serrano Párez, Juan Josá ^a   Serrano András, Luis ^a   Merchán, Manuela ^a  

^a UNIVERSITY OF VALENCIA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; CHEMICAL ACTIVATION; ENERGY GAP; FLUORESCENCE; PHOSPHORESCENCE; QUANTUM THEORY;

FRANCK-CONDON REGIONS; PHOTOPHYSICS; PSORALEN DERIVATIVES; SPIN-ORBIT COUPLING ELEMENTS;

PHOTOCHEMICAL REACTIONS;

CARBON; PSORALEN;

ABSORPTION; ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER PROGRAM; CONFORMATION; ELECTROMAGNETIC FIELD; LIGHT; METHODOLOGY; PHOTOCHEMISTRY; PHYSICAL CHEMISTRY; QUANTUM THEORY; SPECTROFLUOROMETRY; THEORETICAL MODEL;

ABSORPTION; CARBON; CHEMISTRY, PHYSICAL; ELECTROMAGNETIC FIELDS; FICUSIN; LIGHT; MODELS, CHEMICAL; MODELS, THEORETICAL; MOLECULAR CONFORMATION; MOLECULAR STRUCTURE; PHOTOCHEMISTRY; QUANTUM THEORY; SOFTWARE; SPECTROMETRY, FLUORESCENCE;

EID: 34547236777     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2178794     Document Type: Article

References (55)

1. R. Bonnett, Chemical Aspects of Photodynamic Therapy (Gordon and Breach Science, Amsterdam, 2000).
2. B. R. Scott, M. A. Pathak, and G. R. Mohn, Mutat Res. 39, 29 (1976).
3. P. S. Song and K. J. Tapley, Jr., Photochem. Photobiol. 29, 1177 (1979).
4. E. Ben-Hur and P.-S. Song, Adv. Radiat. Biol. 11, 131 (1984).
5. D. Averbeck, Photochem. Photobiol. 50, 859 (1989).
6. R. Bonnett, Chem. Soc. Rev. 24, 19 (1995).
7. A. M. Rouhi, Chem. Eng. News 76, 22 (1998).
8. P. C. Joshi and M. A. Pathak, Biochem. Biophys. Res. Commun. 112, 638 (1983).
9. Y. N. Konan, R. Gurny, and E. Allámann, J. Photochem. Photobiol., B 66, 89 (2001).
10. S. Wang, R. Gao, F. Zhou, and M. Selke, J. Mater. Chem. 14, 487 (2004).
11. N. J. De Mol and M. J. Beijersbergen van Henegouwen, Photochem. Photobiol. 33, 815 (1981).
12. H. Meffert, F. Böhm, and E. Bauer, Stud. Biophys. 94, 41 (1983).
13. J. Llano, J. Raber, and L. A. Eriksson, J. Photochem. Photobiol., A 154, 235 (2003).
14. J. Cadet and P. Vigny, in Bioorganic Photochemistry, edited by, H. Morrison, (Wiley, New York, 1990), Vol. 1.
15. C. M. Estávez, A. M. Grana, M. A. Ríos, and J. Rodríguez, J. Mol. Struct.: THEOCHEM 77, 163 (1991).
16. F. Dall'Acqua and P. Martelli, J. Photochem. Photobiol., B 8, 235 (1991).
17. W. L. Fowlks, J. Invest. Dermatol. 32, 249 (1959).
18. M. A. Pathak and J. H. Fellman, Nature (London) 185, 382 (1960).
19. A. B. Lerner, C. R. Denton, and T. B. Fitzpatrick, J. Invest. Dermatol. 20, 299 (1953).
20. J. A. Parrish, T. B. Fitzpatrick, L. Tannenbaum, and M. A. Pathak, N. Engl. J. Med. 291, 1207 (1974).
21. M. Aida, M. Kaneko, and M. Dupuis, in Computational Molecular Biology, edited by, J. Leszczynski, (Elsevier, Amsterdam, 1999), Vol. 8.
22. B. Durbeej and L. A. Eriksson, Photochem. Photobiol. 78, 159 (2003).
23. D. J. Yoo, H. D. Park, A. R. Kim, Y. S. Rho, and S. C. Shim, Bull. Korean Chem. Soc. 23, 1315 (2002).
24. L. Musajo and G. Rodighiero, in Photobiology, edited by, A. G. Giese, (Academic, New York, 1972), Vol. 7.
25. P.-S. Song, S. C. Shim, and W. W. Mantulin, Bull. Chem. Soc. Jpn. 54, 315 (1981).
26. M. Collet, M. Hoebeke, J. Piette, A. Jakobs, L. Lindqvist, and A. Van de Vorst, J. Photochem. Photobiol., B 35, 221 (1996).
27. W. W. Mantulin and P. S. Song, J. Am. Chem. Soc. 95, 5122 (1973).
28. E. Yeargers and L. Augenstein, J. Invest. Dermatol. 44, 181 (1965).
29. E. Yeargers and L. Augenstein, Nature (London) 212, 251 (1966).
30. G. G. Aloisi, F. Elisei, S. Moro, G. Miolo, and F. Dall'Acqua, Photochem. Photobiol. 71, 506 (2000).
31. N. E. Koval'skaya and I. V. Sokolova, High Energy Chem. 36, 193 (2001).
32. J. Tatchen, M. Kleinschmidt, and C. M. Marian, J. Photochem. Photobiol., A 167, 201 (2004).
33. K. Andersson, P.-Å. Malmqvist, and B. O. Roos, J. Chem. Phys. 96, 1218 (1992).
34. L. Serrano-András, M. Merchán, I. Nebot-Gil, R. Lindh, and B. O. Roos, J. Chem. Phys. 98, 3151 (1993).
35. B. O. Roos, K. Andersson, M. P. Fülscher, P.-Å. Malmqvist, L. Serrano-András, K. Pierloot, and M. Merchán, in New Methods in Computational Quantum Mechanics, Advances in Chemical Physics, Vol. XCIII, edited by, I. Prigogine, and, S. A. Rice, (Wiley, New York, 1996), pp. 219-331.
36. L. Serrano-András and M. Merchán, in Encyclopedia of Computational Chemistry, edited by, P. v. R. Schlegel, (Wiley, Chichester, 2004).
37. M. Merchán and L. Serrano-András, in Computational Photochemistry, edited by, P. v. R. Schleyer, P. R. Schreiner, H. F. Schaefer III, W. L. Jorgensen, W. Thiel, and, R. C. Glen, (Elsevier, Amsterdam, 2005).
38. B. O. Roos, K. Andersson, M. P. Fülscher, L. Serrano-András, K. Pierloot, M. Merchán, and V. Molina, J. Mol. Struct.: THEOCHEM 388, 257 (1996).
39. N. Forsberg and P.-Å. Malmqvist, Chem. Phys. Lett. 274, 196 (1997).
40. J. Almlöf and P. R. Taylor, J. Chem. Phys. 86, 4070 (1987).
41. P.-O. Widmark, P.-Å. Malmqvist, and B. O. Roos, Theor. Chim. Acta 77, 291 (1990).
42. L. Serrano-András, R. Lindh, B. O. Roos, and M. Merchán, J. Phys. Chem. 97, 9360 (1993).
43. P. Å. Malmqvist and B. O. Roos, Chem. Phys. Lett. 155, 189 (1989).
44. M. Merchán, L. Serrano-András, M. A. Robb, and L. Blancafort, J. Am. Chem. Soc. 127, 1820 (2004).
45. K. Andersson, M. Barysz, A. Bernhardsson, MOLCAS, Version 6.0, Department of Theoretical Chemistry, Chemical Center, University of Lund, P.O.B. 124, S-221 00 Lund, Sweden 2002.
46. V. Veryazov, P.-O. Widmark, L. Serrano-András, R. Lindh, and B. O. Roos, Int. J. Quantum Chem. 100, 626 (2004).
47. H. Matsumoto and Y. Ohkura, Chem. Pharm. Bull. (Tokyo) 11, 3433 (1978).
48. A. Nakata, T. Baba, H. Takahashi, and H. Nakai, J. Comput. Chem. 25, 179 (2003).
49. D. J. Tozer, R. D. Amos, N. C. Handy, B. O. Roos, and L. Serrano-András, Mol. Phys. 97, 859 (1999).
50. J. L. McHale, Molecular Spectroscopy (Prentice-Hall, Upper Saddle River, NJ, 1999).
51. Ò. Rubio-Pons, L. Serrano-András, and M. Merchán, J. Phys. Chem. A 105, 9664 (2001).
52. P. Avouris, W. M. Gelbart, and M. A. El-Sayed, Chem. Rev. (Washington, D.C.) 77, 793 (1977).
53. W. A. Wassam, Jr. and E. C. Lim, J. Chem. Phys. 68, 433 (1978).
54. M. Merchán and L. Serrano-András, J. Am. Chem. Soc. 125, 8108 (2003).
55. T. A. Moore, M. L. Harter, and P.-S. Song, J. Mol. Spectrosc. 40, 144 (1971).