Nickel complexes as one of the most applicable elements are widely involved in the various physical, chemical and biological phenomena. The finding of effective factors that can modify their behaviors in various systems is an important scientific work. In this paper, substituents and molecular surrounding media induced effects on the photo-physical properties of some groups of nickel (II) complexes with azoazomethine dyes were investigated. In order to determine the various molecular interactions contributions on the photo-physical characteristics of various forms of nickel complexes, Kamlet- Abboud-Taft and Catalan models were used. Furthermore, the solvatochromic method was considered for measuring ground and excited state dipole moments. The calculated solvent accessible surfaces also indicate that nickel complexes with both methyl and methoxy groups indicate high solvent accessible surfaces. Therefore, these experimental results can give important information about how these metal complexes can operate in various phenomena in similar environments.
