梯型导电高分子几何构型的AM_1优化

AM_1 Geometry Optimizations of π-ConjugatedLadder Polymers

采用齐聚物法（Oligomerapproach）对π共轭的梯型导电高分子的几何构型进行AM1优化。并对优化结果进行了详细的讨论。发现在π共轭的高分子链中，（4n+2）规则和端基效应对分子链的几何构型起着十分重要的作用。

Geometry optimizations of the - conjugated ladder polymers have been performed with oligomer approach at AM1 level. The results lead to significant findings. Inthe polymer chains, the role (4+2) and terminal groups play an important role in the chainstructures.