Coordination compounds with subporphyrazine may exist: DFT quantum chemical prediction for M(ii) complexes with a given macrocyclic ligand (M = Ti–Zn)

Abstract

The existence of macrotricyclic complexes containing M(ii) ion (M = Ti–Zn) and double deprotonated form of subporphyrazine that is unknown for these 3d-elements, was shown by quantum-chemical calculation using three various DFT methods.