共振论的应用及量子化学探讨

Application of Resonance Theory and Quantum Chemistry Discussion

共振论自20世纪30年代鲍林（Pauling L）提出以来,其在有机化学中有着较为广泛的应用。本文简述了共振论的产生及有关的基础知识,其中用共振论观点解释了一些用经典结构理论所不能说明的有机化合物的性质,并且用Gaussian98程序对其进行了量子化学探讨。

Resonance theory has been applied in organic chemistry widely since it was proposed by L. Pauling in 1930s. This paper introduces the evolvement of resonance theory and relevant basic knowledge, and explains some properties of organic compound which can not be explained by classic structure theory but with the view of resonance theory, and discusses them from quantum chemistry perspective with Gaussian98 program.