Photophysics of 7-azaindole, its doubly-h-bonded base-pair, and corresponding proton-transfer-tautomer dimeric species, via defining experimental and theoretical results

Journal of Physical Chemistry A

Volumn 104, Issue 46, 2000, Pages 10812-10820

  Catalán, Javier ^a   Kasha, Michael ^b  

^a UNIVERSIDAD AUTÓNOMA DE MADRID   (Spain)

^b FLORIDA STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CHARGE TRANSFER; FLUORESCENCE; GROUND STATE; HYDROGEN BONDS; LIGHT ABSORPTION; MONOMERS; POTENTIAL ENERGY; QUANTUM THEORY; SPECTROSCOPIC ANALYSIS;

DENSITY FUNCTIONAL THEORY (DFT);

DIMERS;

EID: 0034321324     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0028397     Document Type: Article

References (50)

1. Watson, J. D.; Crick, F. H. C. Nature 1953, 171, 737-738, 964-967.
2. Drake, J. W. The Molecular Basis of Mutation; Holden-Day: San Francisco, 1970.
3. Aucrbach, C. Mutations Research. Problems, Results and Perspectives; Chapman and Hall: London, 1976.
4. Lowdin, P. O. Adv. Quantum Chem. 1965, 2, 213-360 and references therein.
5. Lawley, P. D.; Brookes, P. Nature 1961, 192, 1081;
6. J. Mol. Biol. 1962, 4, 216.
7. Rosen, P. Int. J. Quantum Chem. 1975, 9, 473.
8. Cooper, W. G. Int. J. Quantum Chem. 1978, 14, 71-89;
9. Int. J. Quantum Chem. Quantum Biol. Symp. 1978, 5, 463-467.
10. Sevilla, M. D.; Becker, D.; Van, M.; Summerfield, S. R. J. Phys. Chem. 1991, 95, 3409-3415.
11. Stemp, E. D. A.; Arkin, M. R.; Barton, J. K. J. Am. Chem. Soc. 1997, 119, 2921-2925.
12. Itoh, R. Prog. Theor. Phys. 1961 Supp. 17, 69.
13. Ladik, J. J. Tlieor. Biol. 1964, 6, 201.
14. Rein, R.; Harris, F. E. J. Chem. Phys. 1964, 41, 3393-3401;
15. 1965, 42, 2177-2180;
16. 1965, 43, 4415-4421.
17. Eisinger, J. Photochem. Photobiol. 1968, 7, 597-612.
18. Lamola, A. Photochem. Photobiol. 1968, 7, 619-632.
19. Kasha, M.; Horowitz, P.; El-Bayoumi, M. A. In Molecular Spectroscopy, Modern Research; Rao, K. N., Mathews, C. W., Eds.; Academic Press: 1972; Chapter 6.
20. Taylor, C. A.; El-Bayoumi, M. A.; Kasha, M. Proc. Acad. Natl. Sci. U.S.A. 1969, 63, 253-260.
21. Ingham, K. C.; Abu-Elgheit, M.; El-Bayoumi, M. A. J. Am. Chem. Soc. 1971, 93, 5023-5025.
22. Ingham, K. C.; El-Bayoumi, M. A. J. Am. Chem. Soc. 1974, 96, 1674-1682.
23. El-Bayoumi, M. A.; Avouris, P.; Ware, W. R. J. Chem. Phys. 1975, 62, 2499-2500.
24. Bulska, H.; Chodkowska, A. J. Am. Chem. Soc. 1989, 102, 3259.
25. Hetherington, III, W. M.; Michels, R. H.; Eisenthal, K. B. Chem. Phys. Lett. 1979, 66, 230-233.
26. Fuke, K.; Yoshiuchi, H.; Kaya, K. J. Phys. Chem. 1984, 88, 58405844.
27. Fuke, F.; Kaya, K. J. Phys. Chem. 1989, 93, 614-621.
28. Waluk, J.; Bulska, H.; Pakula, B.; Sepiol, J. J. Lumin. 1981, 241 25, 519-522.
29. Bulska, H.; Grabowska, A.; Pakula, B.; Sepiol, J.; Waluk, J.; Wild, U. P. J. Lumin. 1984, 29, 65-81.
30. Tokumura, K.; Watanabe, Y.; Itoh, M. Chem. Phys. Lett. 1984, 111, 379-382.
31. Tokumura, K.; Watanabe, Y.; Itoh, M. J. Phys. Chem. 1986, 90, 2362-2366.
32. Tokumura, K.; Watanabe, Y.; Udagawa, M.; Itoh, M. J. Am. Chem. Soc. 1987, 109, 1346-1350.
33. Share, P.; Pereira, M.; Sarisky, M.; Repinec, S.; Hochstrasser, R. M. J. Lumin. 1991, 48149, 204-208.
34. Suzuki, T.; Okuyama, U.; Ichimura, T. J. Phys. Chem. A 1997, 101, 7047-7052.
35. Chou, P. T.; Yu, W. S.; Chen, Y. C.; Wei, C. Y.; Martinez, S. S. J. Am. Chem. Soc. 1998, 120, 12927-12934.
36. Chachisvilis, M.; Fiebig, T.; Douhal, A.; Zewail, A. H. J. Phys. Chem. A 1998, 102, 669-673.
37. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Gill, P. M. W.; Johnson, B. G.; Robb, M. A.; Cheeseman, R.; Keith, T.; Petersson, G. A.; Montgomery, J. A.; Raghavachari, K.; Al-Laham, M. A.; Zakrzewski, V. G.; Ortiz, J. V.; Foresman, J. B.; Peng, C. Y.; Ayala, P. Y.; Chen, W.; Wong, M. W.; Andres, J. L.; Replogle, E. S.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Binkley, J. S.; Defrees, D. J.; Baker, J.; Stewart, J. P.; HeadGordon, M.; Gonzalez, C.; Pople, J. A. Gaussian 94, revision B.2; Gaussian, Inc.: Pittsburgh, PA, 1995.
38. Hariharan, P. C.; Pople, J. A. Chem. Phys. Lett. 1972, 16, 217-219.
39. Becke, A. D. J. Chem. Phys. 1993, 98, 5648-5652.
40. Catalan, J.; Palomar, J.; de Paz, J. L. G. Chem. Phys. Lett. 1997, 269, 151-155.
41. Catalan, J.; Palomar, J.; de Paz, J. L. G. J. Phys. Chem. A 1997, 101, 7914-7921.
42. Mulliken, R. S.; Rieke, C. A. Phys. Soc. London, Rep. Prog. Phys. 1941, 8, 231-273.
43. Catalan, J.; del Valle, J. C.; Kasha, M. Proc. Acad. Natl. Sci. U.S.A. 1999, 96, 8338-8943.
44. 1999, 96, 8338-8943.
45. del Valle, J. C.; Kasha, M.; Catalan, J. Int. J. Quantum Chem. 2000, 77, 118-127.
46. Douhal, A.; Guallar, V.; Moreno, M.; Lluch, J. M. Chem. Phys. Lett. 256, 370-376.
47. Former, D. E.; Poth, L.; Wisniewski, E. S.; Castleman, A. W., Jr. Chem. Phys. Lett. 1998, 287, 1-7.
48. Catalan, J.; del Valle, J. C.; Kasha, M. Chem. Phys. Lett. 2000, 318, 629-636.
49. McRae, E. G.; Kasha, M. The Molecular Exciton Model. In Physical Processes in Radiation Biology; Augenstein, Rosenberg, Mason, Eds.; Academic Press: New Yiork, 1964; pp 23-42.
50. Kasha, M. Molecular Excitons in Small Aggregegates. In Spectroscopy of the Excited State; DiBartolo, B., Ed.; Plenum Press: New York, 1976; pp 337-363.