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
2019
Effect of Electronic Coupling on Electron Transfer Rates from Photoexcited Naphthalenediimide Radical Anion to Re(bpy)(CO)3X
Martinez J, La Porte N, Chaudhuri S, Sinopoli A, Bae Y, Sohail M, Batista V, Wasielewski M. Effect of Electronic Coupling on Electron Transfer Rates from Photoexcited Naphthalenediimide Radical Anion to Re(bpy)(CO)3X. The Journal Of Physical Chemistry C 2019, 123: 10178-10190. DOI: 10.1021/acs.jpcc.8b12264.Peer-Reviewed Original ResearchNaphthalenediimide radical anionElectron transfer rateElectronic couplingRadical anionX-ray structural studiesAppropriate reference moleculesReaction free energyPhotocatalytic CO2 reductionFree energy changeArtificial photosynthesisNDI chromophoresElectron transferMid-IR spectroscopyCatalyst resultsUV/Constitutional isomersPhotocatalytic reductionCO2 reductionReference moleculeStructural studiesFree energyEnergy changeFirst intermediateAnionsTransfer rate