2024
Water Ligands Regulate the Redox Leveling Mechanism of the Oxygen-Evolving Complex of the Photosystem II
Liu J, Yang K, Long Z, Armstrong W, Brudvig G, Batista V. Water Ligands Regulate the Redox Leveling Mechanism of the Oxygen-Evolving Complex of the Photosystem II. Journal Of The American Chemical Society 2024, 146: 15986-15999. PMID: 38833517, DOI: 10.1021/jacs.4c02926.Peer-Reviewed Original ResearchProton-coupled electron transferOxygen-evolving complexWater insertionWater ligandsCatalytic cycleMolecular dynamicsO-O bondQuantum mechanics/molecular mechanicsConformational changesFree energy changeLigand environmentElectron transferLigand exchangePhotosystem IIOxygen evolutionWater binding mechanismsEnergy changeLigandBinding mechanismAqueous environmentRedoxWater bindingLigand bindingCatalystIsomerization
2011
An Iridium(IV) Species, [Cp*Ir(NHC)Cl]+, Related to a Water-Oxidation Catalyst
Brewster T, Blakemore J, Schley N, Incarvito C, Hazari N, Brudvig G, Crabtree R. An Iridium(IV) Species, [Cp*Ir(NHC)Cl]+, Related to a Water-Oxidation Catalyst. Organometallics 2011, 30: 965-973. DOI: 10.1021/om101016s.Peer-Reviewed Original ResearchWater oxidation catalystsOne-electron stepsX-ray crystallographyWingtip groupsElectrochemical characterizationLigand environmentElectrochemical behaviorOxidation stateEPR spectroscopyNew compoundsCatalystRhombic symmetryCompoundsΚ2 CC donorsPrecatalystNHCChelatesCrystallographySpectroscopyLigandsCatalyticPrecursorsCharacterizationWater