2024
Mapping the Oxygens in the Oxygen-Evolving Complex of Photosystem II by Their Nucleophilicity Using Quantum Descriptors
Amin M, Kaur D, Brudvig G, Brooks B. Mapping the Oxygens in the Oxygen-Evolving Complex of Photosystem II by Their Nucleophilicity Using Quantum Descriptors. Journal Of Chemical Theory And Computation 2024, 20: 1414-1422. PMID: 38306696, DOI: 10.1021/acs.jctc.3c00926.Peer-Reviewed Original ResearchConceptual density functional theoryOxygen-evolving complexQuantum descriptorsBridging oxygenSolar energy to chemical energyEnergy to chemical energyWater splitting reactionOxygen-evolving complex of photosystem IIReactivity of moleculesDensity functional theoryComplex of photosystem IIDual descriptorFukui functionsNucleophilic attackTerminal waterArtificial catalystsAtomic contributionsModel compoundsFunctional theoryReaction mechanismNucleophilesPhotosystem IIElectrophilesMn4Chemical energy
2008
Functional Manganese Model Chemistry Relevant to the Oxygen-Evolving Complex of Photosystem II: Oxidation of a Mn(III,IV) Complex Coupled to Deprotonation of a Terminal Water Ligand
Cady C, Crabtree R, Brudvig G. Functional Manganese Model Chemistry Relevant to the Oxygen-Evolving Complex of Photosystem II: Oxidation of a Mn(III,IV) Complex Coupled to Deprotonation of a Terminal Water Ligand. 2008, 377-381. DOI: 10.1007/978-1-4020-6709-9_85.Peer-Reviewed Original ResearchTerminal water ligandsWater ligandsDinuclear manganese complexPH-dependent oxidationOxygen-Evolving ComplexRedox stepsManganese complexesRedox levelingElectron transferModel chemistryTerminal waterLigandsOxidationDeprotonationComplex occursComplexesPhotosystem IIChemistryProtonsMVPHWaterNarrow rangeTransfer