The large 1 1Ag--2 1Ag-C=C and C-C stretch vibronic interaction in all-trans polyenes

Chemical Physics Letters

Volumn 289, Issue 1-2, 1998, Pages 118-124

  Buma, Wybren Jan ^a   Zerbetto, Francesco ^b  

^a UNIVERSITY OF AMSTERDAM   (Netherlands)

^b UNIVERSITY OF BOLOGNA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0008089478     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0009-2614(98)00383-2     Document Type: Article

References (23)

1. Birge R.R. Annu. Rev. Phys. Chem. 41:1990;683.
2. J.L Bredas, R.R. Chance (Eds.), Conjugated Polymeric Materials: Opportunities in Electronics, Optoelectronics, and Molecular Electronics (Kluwer Academic Publishers, Dordrecht, 1990).
3. Pople J.A. Trans. Faraday Soc. 48:1953;1375.
4. Callis P.R., Scott T.W., Albrecht A.C. J. Chem. Phys. 78:1983;16.
5. B.S. Hudson, B.E. Kohler, K. Schulten, in: E.C. Lim (Ed.), Excited States, Vol. 6, 1982, p. 1.
6. Buma W.J., Song K., Kohler B.E. J. Chem. Phys. 92:1990;4622.
7. Buma W.J., Song K., Kohler B.E. J. Chem. Phys. 94:1991;6367.
8. Orlandi G., Zerbetto F., Zgierski M.Z. Chem. Rev. 91:1991;867.
9. Rimay L., Heyde M.E., Gill D. J. Am. Chem. Soc. 95:1973;4493.
10. Zerbetto F., Zgierski M.Z., Orlandi G. Chem. Phys. Lett. 141:1987;138.
11. Schaffer H.E., Chance R.R., Silbey R.J., Knoll K., Schrock R.R. J. Chem. Phys. 94:1991;4161.
12. Orlandi G., Zerbetto F. Chem. Phys. 108:1986;187.
13. Buma W.J., Zerbetto F. J. Am. Chem. Soc. 118:1996;9178.
14. Schmidt M.W., Baldridge K.K., Boatz J.A., Koseki S., Gordon M.S., Nguyen K.A., Windus T.L., Elbert S.T. QCPE Bull. 10:1990;52.
15. Galloy C., Lorquet J.C. J. Chem. Phys. 67:1977;4672.
16. Hirsch G., Bruna P.J., Buenker R.J., Peyerimhoff S.D. Chem. Phys. 45:1980;335.
17. R.J. Buenker, G. Hirsch, S.D. Peyerimhoff, P.J. Bruna, J. Römelt, M. Bettendorf, C. Petrongolo, Studies in physical and theoretical chemistry, in: R. Carbó (Ed.), Current Aspects of Quantum Chemistry 1981, Vol. 21 (Elsevier, Amsterdam, 1982) p. 81.
18. M.J. Frisch, G.W. Trucks, H.B. Schlegel, P.M.W. Gill, B.G. Johnson, M.A. Robb, J.R. Cheeseman, T. Keith, G.A. Petersson, J.A. Montgomery, K. Raghavachari, M.A. Al-Laham, V.G. Zakrzewski, J.V. Ortiz, J.B. Foresman, J. Cioslowski, B.B. Stefanov, A. Nanayakkara, M. Challacombe, C.Y. Peng, P.Y. Ayala, W. Chen, M.W. Wong, J.L. Andres, E.S. Replogle, R. Gomperts, R.L. Martin, D.J. Fox, J.S. Binkley, D.J. DeFrees, J. Baker, J.J.P. Stewart, M. Head-Gordon, C. Gonzalez, J.A. Pople, GAUSSIAN 94, Revision B.2, Gaussian, Pittsburgh, PA, 1995.
19. Buma W.J., Zerbetto F. J. Chem. Phys. 103:1995;10492.
20. Orlandi G., Zerbetto F. Chem. Phys. Lett. 131:1986;409.
21. F. Zerbetto, unpublished results.
22. Kohler B.E. J. Chem. Phys. 88:1988;2788.
23. Kohler B.E., Spangler C.S., Westerfield C. J. Chem. Phys. 89:1988;5422.