4-N-甲基苯乙烯吡啶盐类的非线性光学效应的研究

Study of nolinear optical properties of the 4-N-methylstilbazonium salts

利用剑桥晶体数据库 (CSD)数据 ,用MOPAC半经验程序AM 1方法计算了含非对称中心的 4 N 甲基苯乙烯吡啶盐类晶体分子的二阶极化率 ,并用CSD提供的晶体结构数据计算了该类化合物阳离子的平面性 。

The second order nonlinear optical polarizabilities of 4 N methylstilbazonium salts which have noncentrosymmetric space groups in Cambridge Crystallographic Data (CSD) were calculated using MOPAC semiempirical program. The cation planar structures of these salts were also calculated using CSD data. The cation planar structure and substituting group dependencies of their nonlinear optical properties were studied.