The molecular symmetry and electronic spectroscopy of 7-azaindole dimer: Its proton-transfer channels

Journal of Chemical Physics

Volumn 123, Issue 11, 2005, Pages

  Catalan J ^a   De Paz, J L G ^a  

^a UNIVERSIDAD AUTÓNOMA DE MADRID   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRONIC STATES; PROTON TRANSFER; PROTONATION; TRANSITION STATES;

ABSORPTION; ACTIVATION ANALYSIS; ELECTRIC EXCITATION; ELECTRON EMISSION; ELECTRON SPECTROSCOPY; HYDROGEN BONDS; POTENTIAL ENERGY; PROTONS;

DIMERS;

EID: 25444473135     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2012327     Document Type: Article

References (63)

1. C. A. Taylor, M. A. El-Bayoumi, and M. Kasha, Proc. Natl. Acad. Sci. U.S.A. 63, 253 (1969).
2. K. C. Ingham, M. Abu-Elgheit, and M. A. El-Bayoumi, J. Am. Chem. Soc. 93, 5023 (1971).
3. K. C. Ingham and M. A. El-Bayoumi, J. Am. Chem. Soc. 96, 1674 (1974).
4. M. A. El-Bayoumi, P. Avouris, and W. R. Ware, J. Chem. Phys. 62, 2499 (1975).
5. W. M. Hetherrington III, R. H. Michaeels, and K. B. Eisenthal, Chem. Phys. Lett. 66, 230 (1979).
6. K. Fuke, H. Yoshiuchi, and K. Kaya, J. Phys. Chem. 88, 5840 (1984).
7. H. Bulska, A. Grabowski, B. Pakula, and J. Sepiol, J. Lumin. 29, 65 (1984).
8. K. Tokumura, Y. Watanabe, and M. Itoh, J. Phys. Chem. 90, 2362 (1986).
9. K. Tokumura, Y. Watanabe, M. Udagawa, and M. Itoh, J. Am. Chem. Soc. 109, 1346 (1987).
10. K. Fuke and K. Kaya, J. Phys. Chem. 93, 614 (1989).
11. P. Share, M. Pereira, M. Sarisky, S. Repince, and R. M. Hochstrasser, J. Lumin. 48/49, 204 (1991).
12. Y. Chen, R. L. Rich, F. Gai, and J. W. Petrich, J. Phys. Chem. 97, 1770 (1993).
13. A. Douhal, S. K. Kim, and A. H. Zewail, Nature (London) 378, 260 (1995).
14. S. Takeuchi and T. Tahara, Chem. Phys. Lett. 277, 340 (1997).
15. S. Takeuchi and T. Tahara, J. Phys. Chem. A 102, 7740 (1998).
16. P. T. Chou, W. S. Yu, Y. C. Chen, C. Y. Wei, and S. S. Martinez, J. Am. Chem. Soc. 120, 12927 (1998).
17. (a) M. Chachisvilis, T. Firbig, A. Douhal, and A. H. Zewail, J. Phys. Chem. 0022-3654 10.1021/jp980337b 102, 669 (1998);
18. (b) T. Fiebig, M. Chachisvilis, M. Manger, A. H. Zewail, A. Douhal, I. Garcia-Ochoa, and A. De la Hoz Ayuso, J. Phys. Chem. A 103, 7419 (1999).
19. J. Catalán and M. Kasha, J. Phys. Chem. A 104, 10812 (2000).
20. S. Takeuchi and T. Tahara, Chem. Phys. Lett. 347, 108 (2001).
21. J. Catalán, J. Phys. Chem. A 106, 6738 (2002).
22. J. Catalán, P. Perez, J. C. del Valle, J. L. G. de Paz, and M. Kasha, Proc. Natl. Acad. Sci. U.S.A. 101, 419 (2004).
23. K. Sakota, A. Hara, and H. Sekiya, Phys. Chem. Chem. Phys. 6, 32 (2004).
24. J. Catalán, Phys. Chem. Chem. Phys. 6, 4467 (2004).
25. V. I. Pechenaya and V. I. Danilov, Chem. Phys. Lett. 11, 539 (1971).
26. J. Catalán and P. Ṕrez, J. Theor. Biol. 81, 213 (1979).
27. A. Douhal, V. Guallar, M. Moreno, and J. M. Lluch, Chem. Phys. Lett. 256, 370 (1996).
28. V. Guallar, V. S. Batista, and W. H. Millar, J. Chem. Phys. 110, 9922 (1999).
29. M. Moreno, A. Douhal, J. M. Lluch, O. Castaño, and L. F. Frutos, J. Phys. Chem. A 105, 3887 (2001).
30. J. Catalán, J. C. del Valle, and M. Kasha, Proc. Natl. Acad. Sci. U.S.A. 96, 8338 (1999).
31. J. C. del Valle, J. Catalán, and M. Kasha, Int. J. Quantum Chem. 77, 118 (2000).
32. L. Serrano-Andres, M. Merchan, A. C. Borin, and J. Stalring, Int. J. Quantum Chem. 84, 181 (2001).
33. J. Catalán, P. Ṕrez, J. C. del Valle, J. L. G. de Paz, and M. Kasha, Proc. Natl. Acad. Sci. U.S.A. 0027-8424 99, 5799 (2002); J. Catalán, P. Ṕrez, J. C. del Valle, J. L. G. de Paz, and M. Kasha, Proc. Natl. Acad. Sci. U.S.A. 99, 5799 (2002).
34. J. Catalán, P. Ṕrez, J. C. del Valle, J. L. G. de Paz, and M. Kasha, Proc. Natl. Acad. Sci. U.S.A. 0027-8424 99, 5799 (2002); J. Catalán, P. Ṕrez, J. C. del Valle, J. L. G. de Paz, and M. Kasha, Proc. Natl. Acad. Sci. U.S.A. 99, 5799 (2002).
35. M. F. Goodman, Nature (London) 378, 237 (1995).
36. D. E. Folmer, L. Poth, E. S. Wisniewski, and A. W. Castleman, Jr., Chem. Phys. Lett. 287, 1 (1998).
37. J. Catalán and J. L. G. de Paz, J. Phys. Chem. A 105, 7315 (2001).
38. A. Nakajima, M. Hirano, R. Hasumi, K. Kaya, H. Watanabe, C. C. Carter, J. M. Williamson, and T. A. Millar, J. Phys. Chem. A 101, 392 (1997).
39. H. Yokoyama, H. Watanabe, T. Omi, S. Ishiuchi, and M. Fujii, J. Phys. Chem. A 105, 9366 (2001).
40. R. Ahlrichs, M. Bär, M. Häser, H. Horn, and C. Kölmel, Chem. Phys. Lett. 162, 165 (1989); See also http://www.turbomole.com, TURBOMOLE, Version 5.26, 2004.
41. R. Ahlrichs, M. Bär, M. Häser, H. Horn, and C. Kölmel, Chem. Phys. Lett. 162, 165 (1989); See also http://www.turbomole.com, TURBOMOLE, Version 5.26, 2004.
42. A. D. Becke, Phys. Rev. A 38, 3098 (1988).
43. C. Lee, W. Yang, and R. G. Parr, Phys. Rev. B 37, 785 (1988).
44. A. D. Becke, J. Chem. Phys. 98, 5648 (1993).
45. R. Ahlrichs, F. Furche, and S. Grimme, Chem. Phys. Lett. 325, 317 (2000).
46. W. J. Hehre, L. Radom, P. v. R. Scheleyer, and J. A. Pople, Ab Initio Molecular Orbital Theory (Wiley, New York, 1986).
47. M. E. Casida, in Recent Advances in Density Functional Methods, edited by, D. P. Chong, (World Scientific, Singapore, 1995), Pt., pp. 155-193.
48. F. Furche, J. Chem. Phys. 114, 5982 (2001).
49. F. Furche and R. Ahlrichs, J. Chem. Phys. 117, 7433 (2002).
50. F. Furche and D. Rappoport, Computational Photochemistry (University of Karlsruhe, Germany, 2004), http://www.cfn.unikarlsruhe.de/newweb/index.php? tabId=209&fct=showEl&elId=84.
51. F. Furche, Abstr. Pap. - Am. Chem. Soc. 225: U707-U708 040-COMP Part 1, Mar 2003.
52. F. Furche and R. Ahlrichs, J. Chem. Phys. 121, 12772 (2004).
53. D. Rappoport and F. Furche, J. Am. Chem. Soc. 126, 1277 (2004).
54. D. Rappoport and F. Furche, J. Chem. Phys. 122, 064105/1 (2005).
55. C. A. Taylor, Master thesis, Florida State University, 1969.
56. J. Catalán, J. Am. Chem. Soc. 123, 11940 (2001).
57. J. Catalán and J. L. G. de Paz, J. Chem. Phys. 122, 244320 (2005).
58. J. Catalán, Phys. Chem. Chem. Phys. 6, 4467 (2004).
59. J. Catalán and P. Ṕrez, Phys. Chem. Chem. Phys. 7, 94 (2005).
60. J. Catalán (unpublished).
61. N. Kanamaru, J. Mol. Spectrosc. 225, 55 (2004).
62. J. D. Watson and F. H. C. Crick, Nature (London) 171, 737 (1953).
63. J. D. Watson and F. H. C. Crick, Cold Spring Harbor Symp. Quant. Biol. 18, 123 (1953).