Intermolecular Interactions of (5,15-Diphenyl-3,7,13,17-tetramethyl-2,8,12,18-tetrabutylporphyrinato)manganese Acetate with Small Organic Molecules

摘要

The coordination properties of (5;i5-diphenyl-3,7,13,17-tetramethyl-2,8,12,18-tetrabutylporphyrinato)-manganese(III) acetate toward small organic molecules in an inert solvent medium were studied. The values of the equilibrium constants of the process and the composition of the molecular complex were determined. The influence of the electronic and conformational factors of macrocycle on the value of the equilibrium constant was found. The geometry of isolated molecules of manganese porphyrinate and its molecular complexes was optimized by the quantum-chemical PM3 method. The structure of the reaction products favorable by the energy was theoretically found. A good agreement between the calculated and experimental data was obtained.