The structure dependence of the second-order nonlinear optical polarizabilities of some conjugated organic molecules

Authors
Yuan, AH Shen, XP Chen, WJ
Citation
Ah. Yuan et al., The structure dependence of the second-order nonlinear optical polarizabilities of some conjugated organic molecules, ACT CHIM S, 57(2), 1999, pp. 224-228
Citations number
13
Categorie Soggetti
Chemistry
Journal title
ACTA CHIMICA SINICA
ISSN journal
05677351 → ACNP
Volume
57
Issue
2
Year of publication
1999
Pages
224 - 228
Database
ISI
SICI code
0567-7351(1999)57:2<224:TSDOTS>2.0.ZU;2-G
Abstract
In this paper, we have calculated the second-order nonlinear optical polari zabilities of four kinds of organic conjugated systems by using the CNDO/S - CI quantum chemical calculation program. The effects of the molecular str ucture, the molecular length, the electronic properties of substituents and the location of the substitution on the values of beta(nu ec) of these mol ecules have been studied. The results reveal that there is a close relation ship between the structure and the value of beta(nu ec).