A new singlet-excited state of all-trans-spheroidene as detected by resonance-Raman excitation profiles

被引:98
作者
Sashima, T
Nagae, H
Kuki, M
Koyama, Y [1 ]
机构
[1] Kwansei Gakuin Univ, Fac Sci, Nishinomiya, Hyogo 6628501, Japan
[2] Kobe City Univ Foreign Studies, Nishi Ku, Kobe, Hyogo 6512187, Japan
[3] Kobe City Coll Technol, Dept Appl Chem, Nishi Ku, Kobe, Hyogo 6512194, Japan
关键词
D O I
10.1016/S0009-2614(98)01278-0
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Measurements of resonance-Raman excitation profiles of the C=C and C-C stretching Raman lines for crystalline all-trans-spheroidene in KBr disc at 77 K identified a new singlet state (17600 cm(-1)) that is located in-between the 2A(g)(-) state (14200 cm(-1)) and the 1B(u)(+) state(19700 cm(-1)). The particular state is tentatively assigned to the 1B(u)(-) state on the basis of the extrapolation of the PPP-MRD-CI calculations for the low-lying singlet states of shorter polyenes [P. Tavan, K. Schulten, J. Chem. Phys. 85 (1986) 6602], and its possible role in mediating the rapid 1B(u)(+) to 2A(g)(-) internal conversion is discussed. (C) 1999 Elsevier Science B.V. All rights reserved.
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收藏
页码:187 / 194
页数:8
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