Abstract:

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.

Key words: AM1 method, Schiff base, Transition state