Preparation,Characterization,Electronic Structures and Non-linear optical Properties of Some Asymmetrical Schiff Base Compounds as Model Compounds for Non-Linear optical organic Materials

摘要

Three mono azo asymmetrical bidentate Schiff base compounds(1-3)were synthesized and their structures characterized by some spectroscopic methods and C,H and N elemental analyses.Also some theoretical calculations about the electronic properties of the structures of synthesized compounds have been performed.The theoretical non-linear optical properties(beta values)of these compounds were calculated with AM1 semi-empirical method by using MoPAC 7.0 program package and the electronic analysis of the electron density distribution was used to explain an increase of the molecular hyperpolarizabilities.