H2O2 reactivity of a dinuclear copper(II) complex incorporating a constrained binucleating polyaminopyridyl ligand and a phosphodiester coligand

► We have made a dinuclear copper(II) complex [Cu2(PD)(DPP)2](ClO4)2 (1) incorporating a binucleating hexadentate ligand PD and a coligand DPP. ► We evaluated its H2O2 reactivity relevant to the active sites of noncoupled dinuclear copper enzymes, DβM and PHM. ► Complex 1 upon treatment with H2O2 produces [Cu2(PD-O)(DPP)](ClO4)2 (2), where the ligand PD is found hydroxylated at the aromatic benzene ring. ► The dioxygen intermediate responsible for the arene hydroxylation produces OPPh3 on treatment with PPh3 revealing that it is an hydroperoxide.