摘要
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.
出处
《物理化学学报》
SCIE
CAS
CSCD
北大核心
1998年第11期981-987,共7页
Acta Physico-Chimica Sinica
基金
国家自然科学基金!29402014