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我们直接考察了电环反应、环加成反应和σ键迁移反应的过渡状态分子轨道(TSMO)能级,确定了反应过渡状态(TS)的芳香性规则与正常环状共轭多稀分子的Hückel-m?bius芳香系的芳香性规则相同。这种处理方法的基本特点是直接计算了各类周环反应过渡状态的分子轨道能级以及它们的活化能.
We directly investigated the transition state molecular orbital (TSMO) energy levels of the ring reaction, the cycloaddition reaction and the σ bond migration reaction, and determined the relationship between the aromaticity of the transition state (TS) and the normal cyclic conjugate multi-dilute molecule Hückel-m? Bius Aromatic aromatic rules the same. The basic characteristic of this treatment method is to directly calculate the molecular orbital energy levels and their activation energies of the transitional states of various kinds of pericyclic reactions.