The UHF potential energy surfaces of linear polyenes in the lowest excited triplet state

Journal of Molecular Structure: THEOCHEM

Volumn 369, Issue 1-3, 1996, Pages 67-73

  Takahashi, Ohgi ^a   Watanabe, Masayuki ^a   Kikuchi, Osamu ^a  

^a UNIVERSITY OF TSUKUBA   (Japan)

Author keywords

Polyene; Triplet state; UHF

Indexed keywords

EID: 0042094636     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(96)04639-8     Document Type: Article

References (23)

1. F.W. Langkilde, N.-H. Jensen and R. Wilbrandt, J. Phys. Chem., 91 (1987) 1040.
2. F. Negri, G. Orlandi, A.M. Brouwer, F.W. Langkilde and R. Wilbrandt, J. Chem. Phys., 90 (1989) 5944.
3. R. Wilbrandt, F.W. Langkilde, A.M. Brouwer, F. Negri and G. Orlandi, J. Mol. Struct., 217 (1990) 151.
4. F.W. Langkilde, R. Wilbrandt, S. Møller, A.M. Brouwer, F. Negri and G. Orlandi, J. Phys. Chem., 95 (1991) 6884.
5. S. Møller, F.W. Langkilde and R. Wilbrandt, J. Photochem. Photobiol., A, 62 (1991) 93.
6. F.W. Langkilde, N.-H. Jensen, R. Wilbrandt, A.M. Brouwer and H.J.C. Jacobs, J. Phys. Chem., 91 (1987) 1029.
7. F. Negri, G. Orlandi, A.M. Brouwer, F.W. Langkilde, S. Møller and R. Wilbrandt, J. Phys. Chem., 95 (1991) 6895.
8. F.W. Langkilde, R. Wilbrandt, A.M. Brouwer, H.J.C. Jacobs, F. Negri and G. Orlandi, J. Phys. Chem., 96 (1992) 64.
9. R. Wilbrandt, S. Møller, F.W. Langkilde, A.M. Brouwer, F. Negri and G. Orlandi, Springer Proc. Phys., 68 (1992) 155.
10. G. Orlandi, F. Negri, R. Wilbrandt, F.W. Langkilde and A.M. Brouwer, Coord. Chem. Rev., 125 (1993) 293.
11. H. Hashimoto and Y. Koyama, J. Phys. Chem., 92 (1988) 2101.
12. H. Hashimoto, Y. Koyama, K. Ichimura and T. Kobayashi, Chem. Phys. Lett., 162 (1989) 517.
13. H. Hashimoto, Y. Koyama, Y. Hirata and N. Mataga, J. Phys. Chem., 95 (1991) 3072.
14. M. Kuki, Y. Koyama and H. Nagase, J. Phys. Chem., 95 (1991) 7171.
15. N.C. Baird and R.M. West, J. Am. Chem. Soc., 93 (1971) 4427.
16. V. Bonačić-Koutecký and S. Ishimaru, J. Am. Chem. Soc., 99 (1977) 8134.
17. I. Ohmine and K. Morokuma, J. Chem. Phys., 73 (1980) 1907.
18. M. Said, D. Maynau and J.-P. Malrieu, J. Am. Chem. Soc., 106 (1984) 580.
19. F. Negri, G. Orlandi, F. Zerbetto, P. Palmieri and R. Tarroni, Chem. Phys., 178 (1993) 133.
20. B. F. Minaev, D. Jonsson, P. Norman and H. Ågren, Chem. Phys., 194 (1995) 19.
21. O. Takahashi, M. Watanabe and O. Kikuchi, Tetrahedron Lett., 36 (1995) 1473.
22. W.J. Hehre, R.F. Stewart and J.A. Pople, J. Chem. Phys., 51 (1969) 2657.
23. W.J. Hehre, R. Ditchfield and J.A. Pople, J. Chem. Phys., 56 (1972) 2257.