蒽醌衍生物的三阶非线性光学极化率  

Third-Order Nonlinear Optical Susceptibilities of Anthraquinone Derivatives

作　　者：杨世光[1] 杨明理[2] 

机构地区：[1]西南石油学院化工系,四川南充637001 [2]南京大学化学系,南京210093

出　　处：《Chinese Journal of Structural Chemistry》2000年第4期301-305,共5页结构化学（英文）

摘　　要：用有限场 (FF)和含时间的耦合微扰 Hartree- Fork方法计算了蒽醌及其衍生物的三阶非线性光学 (NLO)极化率。计算表明 ,2 ,6位双取代物具有较大的响应系数 ,且随着取代基供电性的增强而增大。含频率的 NLO极化率大于静态值 ,且随频率的增大而增大。The third order nonlinear optical (NLO) susceptibilities of anthraquinone and its derivatives have been calculated by both finite field (FF) and time dependent coupled perturbation Hartree Fork (TDHF) methods. It shows that the susceptibilities of 2,6 disubsituted anthraquinone derivative are larger than those of any other disubstitutes. The stronger electronic donors are found to be favorable to reach larger NLO polarizabilities. The frequency dependent NLO susceptibilities, which are larger than static ones, increase with the increasing frequencies of applied field.

关 键 词：蒽醌 NLO极化率 有限场方法 量子化学 

分 类 号：O641[理学—物理化学]