Complex formation in Cu(II)-thioamide-carbonyl compound systems in ethanol solutions

The structures of metal complexes formed in systems Cu(II)-thioamide-carbonyl compounds in water-ethanol solutions were studied by spectroscopic and quantum-chemical methods. It was found that in systems containing thiocarbohydrazide, the processes of template synthesis in water-ethanol solution and in gelatin-immobilized matrices differ substantially. In the case of dithiooxamide and dithiomalonamide, no products of template synthesis were detected; these amides give with the Cu²⁺ ion the chelate complexes with a ratio Cu²⁺: ligand = 1: 2 and with the N₂S₂ coordination core for dithiooxamide and S₄ coordination core for dithiomalonamide. The quantum-chemical calculations in terms of the density functional theory were shown to adequately describe the structures of metal complexes and relative thermodynamic characteristics of the template synthesis processes in the systems under study.