Electrocatalytic Water Oxidation by a Dinuclear Copper Complex in a Neutral Aqueous Solution

Abstract Electrocatalytic water oxidation using the oxidatively robust 2,7‐[bis(2‐pyridylmethyl)aminomethyl]‐1,8‐naphthyridine ligand (BPMAN)‐based dinuclear copper(II) complex, [Cu 2 (BPMAN)(μ‐OH)] 3+ , has been investigated. This catalyst exhibits high reactivity and stability towards water oxidation in neutral aqueous solutions. DFT calculations suggest that the OO bond formation takes place by an intramolecular direct coupling mechanism rather than by a nucleophilic attack of water on the high‐oxidation‐state Cu IV O moiety.