原子与分子物理学报2004，Vol.21Issue(z1)：319-322,4.
Theoretical investigation of nonlinear properties of electrooptical chromophores
Theoretical investigation of nonlinear properties of electrooptical chromophores
摘要
Abstract
Organic electrooptical (EO) chromophores are now gaining more attention because the property of organic photorefrative (PR) materials could be controlled by doped EO chromophores. In this paper, nonlinear optical (NLO) properties of a new group of organic electrooptical chromophores, synthesized recently in our laboratory, were elucidated theoretically with the quantum chemical density functional theory (DFT) and the intermediate neglect of differential overlap Hamilton and the configuration interaction (INDO/CI), as well as semiemperical Austin Model 1 (AM1) methods. The electronic transition intensity, dipole moment and the second- order polarizability were obtained. The results show this group of chrormophores possess appropriate optical absorption property and good electrooptical property and optical activity. The second-order polarizabilities βare as large as the order of 10-29 to 10-28 ESU, indicating the promising applications in the future. The physical mechanism of NLO is discussed by means of molecular orbital and electronic charge distribution.关键词
Organic electrooptical chromophores/Nonlinear optical properties/Quantum chemical calculationsKey words
Organic electrooptical chromophores/Nonlinear optical properties/Quantum chemical calculations分类
数理科学引用本文复制引用
Zhou Yu-fang,Zhuang De-xin..Theoretical investigation of nonlinear properties of electrooptical chromophores[J].原子与分子物理学报,2004,21(z1):319-322,4.基金项目
Supported by the Science Foundation of Shandong Province in China (Y2002A06). （Y2002A06）
