取代苯σ·П效应分离与FMO能量的相关性△E_(X.σP)^(HO) 研究

Quantative Separation of σ·п- Electronic Effect of Substitued Benzenes and Correlation of ΔEHOX.σP with FMO Energy

研究了芳环上取代基诱导效应能和共轭效应能的分离,Ph(X)n的(X)n基属性从能量角度提出量化解释及应用,发现各类芳环取代基都不同程度存在两种σ_c、σ_I效应,且存有群轨道作用。

In this paper separation of inductive effect energy from conjugation effect energy is achieved. Quantitative explanation and application are discussed. The properties of (X) n group in ph(X) n in view of energy are proposed. It was found that all the substitents connected to the aromadc ring exibit σI and σC effects to different extents and group orbit effect exist.