2012
Reduction of Systematic Uncertainty in DFT Redox Potentials of Transition-Metal Complexes
Konezny S, Doherty M, Luca O, Crabtree R, Soloveichik G, Batista V. Reduction of Systematic Uncertainty in DFT Redox Potentials of Transition-Metal Complexes. The Journal Of Physical Chemistry C 2012, 116: 6349-6356. DOI: 10.1021/jp300485t.Peer-Reviewed Original ResearchTransition metal complexesRedox potentialActive transition metal complexesThird-row transition metal complexesCyclic voltammetry measurementsDensity functional theoryNew electrocatalystsRedox propertiesRedox coupleVoltammetry measurementsWorking electrodesElectrochemical measurementsNonaqueous solventsCatalytic mechanismFunctional theorySolventComplexesInternal referenceQuantitative theoretical predictionTypical experimental errorsExperimental conditionsElectrocatalystsElectrolyteElectrodeExperimental errorBioinspired High-Potential Porphyrin Photoanodes
Moore G, Konezny S, Song H, Milot R, Blakemore J, Lee M, Batista V, Schmuttenmaer C, Crabtree R, Brudvig G. Bioinspired High-Potential Porphyrin Photoanodes. The Journal Of Physical Chemistry C 2012, 116: 4892-4902. DOI: 10.1021/jp210096m.Peer-Reviewed Original ResearchPorphyrin radical cationRadical cationPhotoelectrochemical cellsReduction potentialDye-sensitized solar cellsElectrochemical reduction potentialsMetal oxide surfacesRedox coupleAppropriate energeticsElectron mediatorOxidation powerSpectroscopic studiesPhotoelectrochemical measurementsSnO2 nanoparticlesBare anodeVisible regionTerahertz spectroscopic studyReaction centersCationsSolar cellsPhotoanodeAnodeNatural counterpartsConduction bandSensitizers
2001
Electrochemical properties of [MnIII(terpy)(N3)3] (terpy=2,2′:6′,2″-terpyridine) in CH3CN Electrogeneration of dimanganese(II) di-μ-azido and dimanganese(IV) di-μ-oxo complexes
Baffert C, Chen H, Crabtree R, Brudvig G, Collomb M. Electrochemical properties of [MnIII(terpy)(N3)3] (terpy=2,2′:6′,2″-terpyridine) in CH3CN Electrogeneration of dimanganese(II) di-μ-azido and dimanganese(IV) di-μ-oxo complexes. Journal Of Electroanalytical Chemistry 2001, 506: 99-105. DOI: 10.1016/s0022-0728(01)00488-0.Peer-Reviewed Original ResearchQuasi-reversible reduction waveQuasi-reversible oxidation waveTetra-n-butylammonium perchlorateElectron paramagnetic resonance spectroscopyControlled-potential reductionOne-electron wavesDi-μ-azidoControlled-potential oxidationParamagnetic resonance spectroscopyExhaustive electrolysesM Bu4NClO4New mononuclearOxidation waveElectrochemical propertiesRedox coupleCH3CN solutionCyclic voltammogramsElectrochemical behaviorReduction waveAzide complexesReduced speciesQuantitative conversionOxidation processResonance spectroscopyResidual H2O
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