標題: Chain flexibility and nonlinear optical properties in polyenes within a two-state (VB-CT) model
作者: Sugliani, S
Del Zoppo, M
Zerbi, G
Shu, CF
應用化學系
Department of Applied Chemistry
公開日期: 1-Sep-2001
摘要: We present a simple two-state model that justifies the dependence of first-order hyperpolarizabilities (ss) of push-pull polyenes on conformational disorder. Particular relevance is given to the calculation of the vibrational properties (i.e. force constants, infrared and Raman intensities) which are used for the evaluation of the vibrational contribution to static molecular hyperpolarizabilities. The theoretical predictions are compared with experimental measurements of the quantities of interest on suitable molecules purposely synthesized. (C) 2001 Elsevier Science B.V. All rights reserved.
URI: http://dx.doi.org/10.1016/S0301-0104(01)00403-7
http://hdl.handle.net/11536/29421
ISSN: 0301-0104
DOI: 10.1016/S0301-0104(01)00403-7
期刊: CHEMICAL PHYSICS
Volume: 271
Issue: 1-2
起始頁: 127
結束頁: 136
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