Synthesis, Aggregation Behavior, and Electronic Properties of Some Metallophthalocyanines With 2-Isopropyl Substituents

Abstract

The aim of this study was to perform facile synthesis of novel phthalocyanines with high solubility. The synthesis and characterization of 2-isopropyl-5-methylphenoxy substituted copper, zinc, nickel, and cobalt phthalocyanines are reported. The compounds were characterized by using electronic absorption, nuclear magnetic resonance spectroscopy, infrared and elemental analysis. The aggregation investigations carried out in different concentrations indicate that 2-isopropyl-5-methylphenoxy substituted phthalocyanine complexes do not have any aggregation behavior for the concentration range of 1x10(-5) to 1x10(-6) M in THF. Additionally, the ground-state geometries of the complexes were optimized using density functional theory methods at B3LYP/6-31G (d, p) level in order to obtain information about the 3D geometries and electronic structure.