Linear Polyene Electronic Structure and Potential Surfaces

作者: BRUCE S. HUDSON , BRYAN E. KOHLER , KLAUS SCHULTEN

DOI: 10.1016/B978-0-12-227206-6.50006-5

关键词:

摘要: … at least for the first few members of the series, the energy gap … C—H bond distances and bond angles were only restricted … for butadiene and hexatriene, respectively. It is interesting to …

参考文章(150)
A.T. Amos, B.L. Burrows, Solvent-Shift Effects on Electronic Spectra and Excited-State Dipole Moments and Polarizabilities Advances in Quantum Chemistry. ,vol. 7, pp. 289- 313 ,(1973) , 10.1016/S0065-3276(08)60566-3
Marco A.C. Nascimento, William A. Goddard, The valence electronic excited states of trans-1,3-butadiene and trans, trans-1,3,5-hexatriene from generalized valence bond and configuration interact principles and practice of constraint programming. ,vol. 36, pp. 147- 160 ,(1979) , 10.1016/0301-0104(79)85001-6
David A. C. Compton, William O. George, William F. Maddams, Conformations of conjugated hydrocarbons. Part 1. A spectroscopic and thermodynamic study of buta-1,3-diene and 2-methylbuta-1,3-diene (isoprene) Journal of the Chemical Society, Perkin Transactions 2. ,vol. 8, pp. 1666- 1671 ,(1976) , 10.1039/P29760001666
Klaus Schulten, Uri Dinur, Barry Honig, The spectra of carbonium ions, cyanine dyes, and protonated Schiff base polyenes Journal of Chemical Physics. ,vol. 73, pp. 3927- 3935 ,(1980) , 10.1063/1.440577
H.L.-B. Fang, R.J. Thrash, G.E. Leroi, Observation of the low-energy 1Ag state of diphenylhexatriene by two-photon excitation spectroscopy Chemical Physics Letters. ,vol. 57, pp. 59- 63 ,(1978) , 10.1016/0009-2614(78)80351-0
Kozo Kuchttsu, Tsutomu Fukuyama, Yonezo Morino, Average structures of butadiene, acrolein, and glyoxal determined by gas electron diffraction and spectroscopy Journal of Molecular Structure. ,vol. 1, pp. 463- 479 ,(1968) , 10.1016/0022-2860(68)87020-6