关键词: 分子第一超极化率, 类芪, 杂芪, 染料, 线性方程, 溶致变色, 极化率, 分子结构, 结构效应

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