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用“HMO”法处理共轭分子,是研究共轭分子性质的一种简单的、有效的近似计算法.为了进一步简化“HMO”法计算,通常采用群论、图论和差分方程进行处理,并取得很多相同的结果.例如对直链交替烃、单环共轭烃进行了具体计算,求出了它们的轨道系数公式.本文以轨道系数公式为基础,对直链交替烃和单环共轭烃的分子轨道进行快速求解,不需经过复杂的计算就可粗略地作出分子轨道的图象来.
Using HMO method to process conjugate molecules is a simple and effective approximation method to study the properties of conjugated molecules.In order to further simplify the calculation of “HMO” method, we usually use group theory, graph theory and difference equation to deal with, And get a lot of the same results.For example, the linear alternating hydrocarbons, monocyclic conjugated hydrocarbons were calculated and calculated their orbital coefficient formula.This article based on the orbital coefficient formula, the linear alternating hydrocarbon and monocyclic The fast calculation of the molecular orbital of the yoke hydrocarbon allows the rough preparation of the molecular orbital image without complicated calculations.