Preparation, characterization, electronic structures and non-linear optical properties of some asymmetrical Schiff base compounds as model compounds for non-linear optical organic materials

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 syntiesized 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.