Molecular Complexes of μ-Carbidodimeric Iron(IV) Tetra-4-tert-butylphthalocyaninate with Nitrogenous Bases

Abstract

The reaction of μ-carbidodimeric iron(IV) tetra-4-tert-butylphthalocyaninate with nitrogenous bases (imidazole and its derivatives, pyridine, diethylamine), which involves formation of donor‒acceptor complexes with a preserved dimeric structure, was studied by spectral methods. The composition of such molecular complexes and their comparative stability were determined. The coordination power of μ- carbidodimeric iron(IV) tetra-4-tert-butylphthalocyaninate was found to depend on the nature of the nitrogenous base and macrocycle. Quantum-chemical modeling of the coordination reaction was performed. The energetic and geometric characteristics of the donor‒acceptor complexes were obtained. The composition of the reaction products was shown to be affected of the degree of deformation of the macrocycle.