标题: | 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 应用化学系 Department of Applied Chemistry |
公开日期: | 1-九月-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 |
起始页: | 127 |
结束页: | 136 |
显示于类别: | Articles |
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