聚酰胺酸及其接枝衍生物的三阶非线性光学性能研究  

Theoretical Studies on the Third-order Nonlinear Optical Property of Polyamic Acid and It′s Grafted Ramification

作　　者：张振江[1] 路建美[1,2] 周为群[1] 祁秀秀[1] 

机构地区：[1]苏州大学化学化工学院,江苏省有机化学重点实验室,苏州215006 [2]江苏工业学院

出　　处：《物理化学学报》2005年第7期711-715,共5页Acta Physico-Chimica Sinica

基　　金：国家自然科学基金(20476066)资助项目~~

摘　　要：设计合成了苯代三聚氰胺与均苯四酸二酐缩聚物,及不同侧链的p-π共轭缩聚物,并以量子化学PM3/CIS方法为基础,利用完全态求和(SOS)公式,对不同侧链取代的聚酰胺酸的分子进行了几何构型优化,并计算了其三阶非线性光学系数酌.研究了不同侧链对聚合物三阶非线性性能的影响.这些结果对合成具有优良加工性能的三阶非线性光学材料是有一定的指导作用.Polycondensate of benzoguanamine(BGA) and pyromellitic dianhydride(PMDA) as well as p-pi conjugate polycondensates with differ side chains were designed and synthesized on the basis of quantum chemical PM3/CIS (configuration interaction singles) method, using the sum-over-states(SOS) expression, the geometries of the polyamic acids with different side chains and their monomer are optimized, and their third-order nonlinear optical susceptibilities (gamma) have been calculated. The effects of the different side chains on the third-order nonlinear optical property have been studied. These results give inspiration for synthesizing the third-order nonlinear optical material with good machining performance.

关 键 词：三阶非线性光学性能 聚酰胺酸 量子化学计算 CIS方法 

分 类 号：O633.22[理学—高分子化学]