Acta Chimica Sinica ›› 2001, Vol. 59 ›› Issue (2): 213-219. Previous Articles     Next Articles

Original Articles

分子第一超极化率的分子结构效应研究

詹传郎;王夺元   

  1. 中国科学院化学研究所分子科学中心
  • 发布日期:2001-02-15

Investigations of the molecule-structure-factors influences on the first hyperpolarizabilities of the organic molecules

Zhan Chuanlang;Wang Duoyuan   

  • Published:2001-02-15

The molecule-structure-factors influences, including the positive/ negative charge influence, the conjugate π-electron number influence, the conjugated π-atom influence, the linking influence and the donor/ acceptor influence, on the β- values have been studied. The molecule transition energy νa has been firstly introduced to link the above five influences. A linear function group and a net- like graph for describing the linear relationship betweem the β- values and νa have been obtained containing all of five influences, from which one could find the key factor to influence on the β- values and obtain desired maximum β- value for each influence. So the graph gives out a new idea and opens a new way to design and synthesize new organic molecules with high β- values.

Key words: DYES, LINEAR EQUATIONS, POLARIZABILITIES, MOLECULAR STRUCTURE, STRUCTURAL EFFECT

CLC Number: