title: 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.
authors: Department of Chemistry, Brookhaven National Laboratory, Upton, NY 11973-5000, USA. jconcepc@bnl.gov.
authors: Javier J
authors: JJ
authors: Concepcion
authors: Diane K
authors: DK
authors: Zhong
authors: David J
authors: DJ
authors: Szalda
authors: James T
authors: JT
authors: Muckerman
authors: Etsuko
authors: E
authors: Fujita