Copper(II) hexaaza macrocyclic binuclear complexes obtained from the reaction of their copper(I) derivatives and molecular dioxygen

A report is presented on how the subtle variations exemplified in the family of dinucleating hexaaza macrocyclic ligands strongly influence the reactivity of their corresponding Cu(super 1)2 complexes toward molecular O2 and their oxidative evolution. DFT calculations have provided an excellent guide to unravel their potential reactivity based on the relative disposition of the aromatic rings and the Cu2O2 core and also on their electronic properties.