水杨叉缩苯胺及其衍生物的变色机理

The Coloration Mechanism of N-salicylideneanilines and its Derivatives

用半经验分子轨道理论方法（AM1方法）对一系列具有不同取代基的水杨醛类席夫碱的变色机理进行了研究，发现此类席夫碱的变色过程分为两步，有色产物主要为醌式结构．

AM1 method has been used to study tile mechanism of coloration processes of salicylideneaniline derivatives with different substituents. It has been found that the substituents have not obvious effect on tile structure of the reaction system. All the N-salicylideneanilines investigated have the enol-like structures at room temperature and the coloration processes undergo by two steps and the colored products have the unstable keto-like structure which reverses to the cis-keto structure quickly.