2-羟基-1-萘醛缩苯胺类希夫碱的非线性光学性质的理论研究

Theoretical Study on Nonlinear Optical Properties of Schiff Base Derived by the Condensation of 2 hydroxy naphthyl aldehyde with Aniline

２－羟基－１－萘醛缩苯胺类希夫碱是一类重要的有机化合物．采用有限场ＦＦ／ＰＭ３方法，针对２－羟基－１－萘醛缩苯胺类希夫碱类化合物的非线性光学性质进行理论研究．结果表明：该类化合物具有良好的非线性光学性质，尤其是三阶性质．当Ｒ＝ｍ－ＣＨ３时。

The schiff base derived by the condensati on of 2 hydroxy naphthyl aldehyde with aniline is a kind of important compound s . The polarizabilities, first hyperpolarizabilities and second hyperpolarizabili ties of the schiff bases are calculated by using finite field(FF)/PM3 method. Th e results show that these compounds have better nonlinear optic properties.