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水杨醛缩苯胺类席夫碱及其衍生物的非线性光学性质的有限场方法研究
引用本文:王惠,张占金.水杨醛缩苯胺类席夫碱及其衍生物的非线性光学性质的有限场方法研究[J].东北师大学报(自然科学版),1998(4):43-46.
作者姓名:王惠  张占金
作者单位:[1]大连市教育学院 [2]东北师范大学化学系
摘    要:针对水杨醛缩苯胺类夫碱及其衍生物的非线性光学性质进行了理论研究。有限场FF/PM3方法的计算结果表明:该类化合物具有良好的非线性光学性质,尤其是三阶性质;具有内氢键的水杨醛缩苯胺二阶超极化率最大。

关 键 词:水杨醛缩苯胺类  席夫碱  非线性光学性质  有限场

Finite Field Study of Nonlinear Optical Properties of Schiff Base Derived by the Condensation of Salicylaldehyde with Aniline
Wang Hui,Zhang Zhanjin,He Moguang,Li Tao,Qiu Yongqing,Su Zhongmin.Finite Field Study of Nonlinear Optical Properties of Schiff Base Derived by the Condensation of Salicylaldehyde with Aniline[J].Journal of Northeast Normal University (Natural Science Edition),1998(4):43-46.
Authors:Wang Hui  Zhang Zhanjin  He Moguang  Li Tao  Qiu Yongqing  Su Zhongmin
Abstract:The dipole moments, polarizabilities, first-order hyperpolarizabilities and second-order hyperpolarizabilities of schiff base derived by the condensation of salicylaldehyde with aniline are calculated by using finite field(FF)/PM3 method. The results suggest that these compounds are good candidates for nonlinear optical materials.
Keywords:polarizabilities  hyperpolarizabilities  finite field/PM3  schiff base  
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