Mechanism of water oxidation by [Ru(bda)(L)2]: the return of the “blue dimer”†
Abstract
We describe here a combined solution-surface-DFT calculations study for complexes of the type [Ru(bda)(L)2] including X-ray structure of intermediates and their reactivity, as well as pH-dependent electrochemistry and spectroelectrochemistry. These studies shed light on the mechanism of water oxidation by [Ru(bda)(L)2], revealing key features unavailable from solution studies with sacrificial oxidants.