分子轨道图形理论中对称轴定理的明确和扩展——(Ⅰ)本征多项式分解定理

A Definiteness and an Expansion of the Theorems of a Symmetry Axis in Graph Theory of Molecular Orbitals (Ⅰ) The Factorization Theorems of Eigen Polynomial

本文对唐敖庆教授和江元生教授等人确定的对称轴定理作了一定的扩展,并以比较浅显明确的形式描述了对称轴定理。扩展后的对称轴定理不仅可以将具有Cn轴的共轭分子的本征多项式分解为n个因子相乘的形式,而且可以直接得到π分子轨道的解析表达式。

In this paper, the theorems of a symmetry axis, established by professor Tang Aoqing and professor Jiang Yuansheng, were expanded in a certain extent, and were described in the definite form. The expanded theorems of a symmetry axis not only can decompose eigen polynomial of conjugate molecule with a n-fold rotation axis into products of n factors, but also can derive the expressions of molecular orbitals.