前线轨道理论在化学中的应用

The application of the frontier orbital theory to the chemistry

前线轨道理论认为 :分子在反应过程中是分子轨道起变化 ,优先起作用的是前线轨道 ,即分子中的最高被电子占有分子轨道 (HOMO)和最低空分子轨道 (LUMO) 。

The theory of the frontier orbital thinks that the molecular orbital makes a change in the reaction process of the molecule, in which the frontier orbital makes a great effect first, that is the HOMO and the LUMO. The symmetry of the molecular orbital especially the symmetry of the frontier orbital in the reaction.