2014
Structural Studies of Oxomanganese Complexes for Water Oxidation Catalysis
Rivalta I, Brudvig G, Batista V. Structural Studies of Oxomanganese Complexes for Water Oxidation Catalysis. 2014, 1-14. DOI: 10.1002/9781118698648.ch1.Peer-Reviewed Original ResearchOxygen-evolving complexBiomimetic oxomanganese complexesOxomanganese complexesDensity functional theoryQuantum mechanics/molecular mechanics (QM/MM) hybrid methodsHigh-resolution spectroscopyPhotosystem IIStructure of PSIIX-ray absorption fine structure spectraX-ray radiationExtended X-ray absorption fine structure (EXAFS) spectraProteinaceous side chainsWater oxidation catalysisArtificial photosynthetic devicesFine structure spectraO bond formationWater splitting mechanismX-ray crystallographyOxomanganese clusterResolution spectroscopyX-ray diffraction dataSemiconductor surfacesOxidation catalysisPhotosynthetic devicesX-ray model
2008
Quantum Mechanics/Molecular Mechanics Study of the Catalytic Cycle of Water Splitting in Photosystem II
Sproviero EM, Gascón JA, McEvoy JP, Brudvig GW, Batista VS. Quantum Mechanics/Molecular Mechanics Study of the Catalytic Cycle of Water Splitting in Photosystem II. Journal Of The American Chemical Society 2008, 130: 3428-3442. PMID: 18290643, DOI: 10.1021/ja076130q.Peer-Reviewed Original ResearchConceptsSubstrate water moleculesWater moleculesMu-oxo bridgeOxygen-evolving complexWater splittingQuantum mechanics/molecular mechanics (QM/MM) hybrid methodsQuantum Mechanics/Molecular Mechanics StudySolar fuel production systemsPhotosystem IIX-ray diffraction structureMolecular mechanics studySecond coordination shellCyanobacterium Thermosynechococcus elongatusOxomanganese clusterDioxygen evolutionTerminal ligandsXRD structureCatalytic clustersCP43-R357Ligand exchangeCatalytic reactionCatalytic cycleReaction intermediatesS0 stateNucleophilic attack
1995
High-valent oxomanganese clusters: structural and mechanistic work relevant to the oxygen-evolving center in photosystem II
Manchanda R, Brudvig G, Crabtree R. High-valent oxomanganese clusters: structural and mechanistic work relevant to the oxygen-evolving center in photosystem II. Coordination Chemistry Reviews 1995, 144: 1-38. DOI: 10.1016/0010-8545(95)01147-h.Peer-Reviewed Original ResearchO2-evolving centerActive siteOxygen-evolving centerPhotosystem IIOxomanganese clusterBioinorganic chemistryInorganic chemistsWater oxidationComplex chemistryMechanistic aspectsBiophysical studiesChemistryMagnetic propertiesNative enzymeMechanistic workPS IINuclearityChemistsMetalloproteinsSuch clustersConsiderable interestOxidationRecent effortsChemicalsTetramer
1992
Assembly of high-valent oxomanganese clusters in aqueous solution. Redox equilibrium of water-stable Mn3O44+ and Mn2O23+ complexes. [Erratum to document cited in CA113(18):161042g]
Sarneski J, Thorp H, Brudvig G, Crabtree R, Schulte G. Assembly of high-valent oxomanganese clusters in aqueous solution. Redox equilibrium of water-stable Mn3O44+ and Mn2O23+ complexes. [Erratum to document cited in CA113(18):161042g]. Journal Of The American Chemical Society 1992, 114: 5907-5907. DOI: 10.1021/ja00040a092.Peer-Reviewed Original Research
1991
The chemistry of high-valent oxomanganese clusters in aqueous solution: A (IV,IV) dimer containing bridging and terminal phosphate ligands
Sarneski J, Didiuk M, Thorp H, Crabtree R, Brudvig G, Faller J, Schulte G. The chemistry of high-valent oxomanganese clusters in aqueous solution: A (IV,IV) dimer containing bridging and terminal phosphate ligands. Journal Of Inorganic Biochemistry 1991, 43: 372. DOI: 10.1016/0162-0134(91)84358-g.Peer-Reviewed Original ResearchChemInform Abstract: Assembly of High‐Valent Oxomanganese Clusters in Aqueous Solution. Redox Equilibrium of Water‐Stable Mn3O4+ 4 and Mn2O3+ 2 Complexes.
SARNESKI J, THORP H, BRUDVIG G, CRABTREE R, SCHULTE G. ChemInform Abstract: Assembly of High‐Valent Oxomanganese Clusters in Aqueous Solution. Redox Equilibrium of Water‐Stable Mn3O4+ 4 and Mn2O3+ 2 Complexes. ChemInform 1991, 22: no-no. DOI: 10.1002/chin.199102283.Peer-Reviewed Original Research
1990
Assembly of high-valent oxomanganese clusters in aqueous solution. Redox equilibrium of water-stable Mn3O44+ and Mn2O23+ complexes
Sarneski J, Thorp H, Brudvig G, Crabtree R, Schulte G. Assembly of high-valent oxomanganese clusters in aqueous solution. Redox equilibrium of water-stable Mn3O44+ and Mn2O23+ complexes. Journal Of The American Chemical Society 1990, 112: 7255-7260. DOI: 10.1021/ja00176a027.Peer-Reviewed Original Research