Lowest triplet state of indole: An ab initio study

Journal of Physical Chemistry A

Volumn 101, Issue 14, 1997, Pages 2686-2691

  Hahn, David K ^a   Callis, Patrik R ^a  

^a MONTANA STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000348209     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp963146m     Document Type: Article

References (33)

1. Demchenko, A. P. Ultraviolet Spectroscopy of Proteins; Springer-Verlag: New York, 1986.
2. Konev, S. V. Fluorescence and Phosporescence of Proteins and Nucleic Acids; Plenum: New York, 1967.
3. Longworth, J. W. In Excited States of Proteins and Nucleic Acids; Steiner, R. F., Weinryb, I. Eds.; Plenum: New York, 1971; p 319.
4. Eftink, M. R. Methods Biochem. Anal. 1991, 35, 127.
5. Saviotti, M. L.; Galley, W. C. Proc. Natl. Acad. Sci. U.S.A. 1974, 71, 4154.
6. Papp, S.; Vanderkooi, J. M. Photochem. Photobiol. 1989, 49, 775.
7. Song, P.; Kurtin, W. E. J. Am. Chem. Soc. 1969, 91, 4892.
8. Callis, P. R. J. Chem. Phys. 1991, 95, 4230.
9. Chabalowski, C. F.; Garmer, D. R.; Jensen, J. O.; Krauss, M. J. Phys. Chem. 1993, 97, 4608.
10. Slater, L. S.; Callis, P. R. J. Phys. Chem. 1995, 99, 8572.
11. Serrano-Andres, L.; Roos, B. O. J. Am. Chem. Soc. 1996, 118, 185.
12. Andrews, L. J.; Forster, L. S. Biochemistry 1972, 11, 1875.
13. Lami, H.; Glasser, N. J. Chem. Phys. 1986, 84, 597.
14. Pierce, D. W.; Boxer, S. G. Biophys. J. 1995, 68, 1583.
15. Galley, W. C.; Purkey, R. M. Proc. Natl. Acad. Sci. U.S.A. 1970, 67, 1116.
16. Demchenko, A. P.; Sytnik, A. I. J. Phys. Chem. 1991, 95, 10518.
17. Frisch, M. J.; Trucks, G. W.; Head-Gordon, M.; Gill, P. M. W.; Wong, M. W.; Foresman, J. B.; Johnson, B. G.; Schlegel, H. B.; Robb, M. A.; Replogle, E. S.; Gomperts, R.; Andres, J. L.; Raghavachari, K.; Binkley, J. S.; Gonzalez, C. S.; Martin, R. L.; Fox, D. J.; Defrees, D. J.; Baker, J.; Stewart, J. J. P.; Pople, J. A. Gaussian 94; B. Gaussian, Inc.: Pittsburgh, PA, 1996.
18. Callis, P. R. Int. J. Quantum. Chem. 1984, S18, 579.
19. Foresman, J. B.; Head-Gordon, M.; Pople, J. A.; Frisch, M. J. J. Phys. Chem. 1992, 96, 135.
20. Streitwieser, A., Jr.; Collins, J. B.; McKelvey, J. M.; Grier, D.; Sender, J.; Toczko, A. G. Proc. Natl. Acad. Sci. U.S.A. 1979, 76, 2499.
21. Callis, P. R.; Vivian, J. T.; Slater, L. S. Chem. Phys. Lett. 1995, 244, 53.
22. Doktorov, E. V.; Malkin, I. A.; Man'ko, V. I. J. Mol. Spectrosc. 1976, 64, 359.
23. Hershberger, M. V.; Maki, A. H.; Galley, W. C. Biochemistry 1980, 19, 2204.
24. Scott, T. W.; Campbell, B. F.; Cone, R. L.; Friedman, J. M. Chem. Phys. 1989, 131, 63.
25. Longworth, J. W. Photochem. Photobiol. 1968, 7, 587.
26. Chang, C.-T.; Wu, C.-Y.; Muirhead, A. R.; Lombardi, J. R. Photochem. Photobiol. 1974, 19, 347.
27. Parr, R. G. Quantum theory of molecular electronic structure; W. A. Benjamin, Inc.: New York, 1963.
28. Shalev, E.; Ben-Horin, N.; Jortner, J. J. Chem. Phys. 1992, 96, 1848.
29. Murrell, J. N. The theory of the electronic spectra of organic molecules; Wiley: London, 1963; p 94.
30. Wolf, J.; Hohlneicher, G. Chem. Phys. 1994, 181, 181.
31. Takeuchi, H.; Harada, I. Spectrochim. Acta. 1986, 42A, 1069.
32. Fender, B. J.; Hahn, D. K.; Callis, P. R. Manuscript in preparation.
33. McClellan, A. L. Tables of Experimental Dipole Moments; Freeman: London, 1963.