二苯胺类双席夫碱配体的非线性光学性质理论研究  

Theoretical study of two aniline double schiff's bases ligand nonlinear optical property

作　　者：车文实[1] 蔺彬彬 李晓丰[1] 

机构地区：[1]齐齐哈尔大学黑河分校化学系,黑龙江黑河164300

出　　处：《黑龙江大学自然科学学报》2002年第2期91-93,96,共4页Journal of Natural Science of Heilongjiang University

基　　金：黑龙江省新世纪高等教育教学改革工程项目(B0312)

摘　　要：运用有限场FF/PM3、FF/AM1及abinitio HF/6-31G方法从理论上探讨二苯胺双席夫碱类化合物分子结构特征、构象转化等对电子性质及非线性光学性质的影响,分析了双席夫碱配体偶极矩、极化率、超极化率对构象的依赖关系,为研究二苯胺双席夫碱配合物的非线性光学性质和发光特性奠定了基础。结果表明:二苯胺双席夫碱类化合物具有较大的非线性光学系数,从理论上为进一步探索优质非线性光学材料提供依据。The authors studied the molecular structure and the conformation transform of two aniline-two schiffs bases compound how to affect electron character and nonlinear optical character on theory by means of limited space FF/PM3, FF/AM1 and ab initio HF/6-31G and analysed the relation between two schiffs bases ligand dipole moment and polarizability relying on conformation. It provided theory foundation for studing two schiff's bases the nonlinear optical character and optical character of two- aniline- two schiffs bases complex. The result showed that two - aniline - two schiffs bases has bigger nonlinear optical coefficient. It provides the theory foundation for go further research on good nonlinear optical materials.

关 键 词：FF/PM3 FF/AM1 ABINITIO HF/6-31G 二苯胺双席夫碱 非线性光学 

分 类 号：O641[理学—物理化学]