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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．
The mechanism of discoloration of a series of salicylaldehyde Schiff bases with different substituents was studied by semi-empirical molecular orbital theory (AM1 method). It was found that the color change of Schiff base is divided into two steps. For the quinone structure.