2018
Water-Nucleophilic Attack Mechanism for the CuII(pyalk)2 Water-Oxidation Catalyst
Rudshteyn B, Fisher K, Lant H, Yang K, Mercado B, Brudvig G, Crabtree R, Batista V. Water-Nucleophilic Attack Mechanism for the CuII(pyalk)2 Water-Oxidation Catalyst. ACS Catalysis 2018, 8: 7952-7960. DOI: 10.1021/acscatal.8b02466.Peer-Reviewed Original ResearchKinetic isotope effectsWater nucleophilic attack mechanismWater oxidation catalystsWater nucleophilic attackD Kinetic Isotope EffectO bond formationUV-visible spectraDensity functional theoryElectrochemical stepWater oxidationElectrochemical analysisTurnover frequencyDerivative complexesBond formationRadical speciesRational designCis formFunctional theoryIsotope effectRate-limiting stepCatalystComplexesAttack mechanismMechanistic findingsDeprotonation
2017
Electrocatalytic Water Oxidation by a Copper(II) Complex of an Oxidation-Resistant Ligand
Fisher K, Materna K, Mercado B, Crabtree R, Brudvig G. Electrocatalytic Water Oxidation by a Copper(II) Complex of an Oxidation-Resistant Ligand. ACS Catalysis 2017, 7: 3384-3387. DOI: 10.1021/acscatal.7b00494.Peer-Reviewed Original ResearchWater oxidationElectrocatalytic water oxidationPotential electrolysis experimentsWater oxidation electrocatalystsStrong donor characterCatalyst degradationTurnover frequencyElectrolysis experimentsDonor characterCatalytic turnoverBasic conditionsOxidationHarsh conditionsOxidation resistanceElectrocatalystsCatalystLigandsCopperComplexesO2NHEFormationDegradation
2016
Heterogenized Iridium Water-Oxidation Catalyst from a Silatrane Precursor
Materna K, Rudshteyn B, Brennan B, Kane M, Bloomfield A, Huang D, Shopov D, Batista V, Crabtree R, Brudvig G. Heterogenized Iridium Water-Oxidation Catalyst from a Silatrane Precursor. ACS Catalysis 2016, 6: 5371-5377. DOI: 10.1021/acscatal.6b01101.Peer-Reviewed Original ResearchIridium Water Oxidation CatalystsMetal oxide semiconductor surfacesWater oxidation catalystsExperimental IR spectraOxide semiconductor surfaceWater oxidationHeterogenized catalystTurnover frequencyIR spectraSilatrane precursorCovalent attachmentFunctional groupsTurnover numberM KNO3CatalystSemiconductor surfacesPrecatalystOverpotentialCatalysisComputational modelingOxidationPrecursorsKNO3SpectraSurface