Theoretical studies on the one- and two-photon absorption of symmetrical stilbene derivatives

被引：17
|
作者：
Liu, CL
Su, ZM
Feng, JK [1 ]
Ren, AM
Sun, CC
Zha, ZZ
Wang, Q
机构：
[1] Jilin Univ, Inst Theoret Chem, Natl Key Lab Theoret & Computat Chem, Changchun 130023, Peoples R China
[2] Harbin Inst Technol, Inst Optoelect, Natl Key Lab Tunable Laser Technol, Harbin 150001, Peoples R China
[3] NE Normal Univ, Dept Chem, Inst Funct Mat Chem, Changchun 130024, Peoples R China
来源：
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM | 2000年 / 531卷
基金：
中国国家自然科学基金;
关键词：
symmetrical stilbene derivatives; one- and two-photon absorption; nonlinear optical properties;
D O I：
10.1016/S0166-1280(00)00468-1
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：
The geometry and the electronic structures of symmetrical stilbene derivatives are systematically studied by PM3 and INDO/CI methods. On the basis of correct UV-Vis spectra, the position and strength of the two-photon absorption can be predicted by a simplified form of the sum-over-state expression. The relationship between the structures and third-order nonlinear optical properties has been explained by electronic delocalization effects in different conjugated systems. (C) 2000 Elsevier Science B.V. All rights reserved.
引用
收藏
页码：169 / 174
页数：6
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