2018
Behavior of Ru–bda Water‐Oxidation Catalysts in Low Oxidation States
Matheu R, Ghaderian A, Francàs L, Chernev P, Ertem M, Benet‐Buchholz J, Batista V, Haumann M, Gimbert‐Suriñach C, Sala X, Llobet A. Behavior of Ru–bda Water‐Oxidation Catalysts in Low Oxidation States. Chemistry - A European Journal 2018, 24: 12838-12847. PMID: 29897655, DOI: 10.1002/chem.201801236.Peer-Reviewed Original ResearchCoordination modeRu centerRu complexesWater moleculesVariable-temperature NMR spectroscopyHydrogen-bonded water moleculesX-ray absorption spectroscopyPseudo-octahedral geometryAdditional water moleculesMain coordination modesNew Ru complexesLower oxidation statesSingle crystal XRDSecond coordination sphereComplex 1 reactsAcidic aqueous solutionExcess of NOTridentate mannerAniline ligandNew RuO ligandsCoordination sphereNMR spectroscopySynthetic intermediatesCarboxylate groups
2016
Surface-Induced Anisotropic Binding of a Rhenium CO2‑Reduction Catalyst on Rutile TiO2(110) Surfaces
Ge A, Rudshteyn B, Psciuk B, Xiao D, Song J, Anfuso C, Ricks A, Batista V, Lian T. Surface-Induced Anisotropic Binding of a Rhenium CO2‑Reduction Catalyst on Rutile TiO2(110) Surfaces. The Journal Of Physical Chemistry C 2016, 120: 20970-20977. DOI: 10.1021/acs.jpcc.6b03165.Peer-Reviewed Original ResearchVibrational sum frequency generation spectroscopySum frequency generation spectroscopyCO2 reduction catalystsDensity functional theory levelFrequency generation spectroscopyHigh surface coverageProper hydrogen bondingHydrogen bondingCarboxylate groupsSingle-crystalline TiO2Water moleculesGeneration spectroscopyTheory levelSurface coverageSFG intensityOptical anisotropyIsotropic distributionAnisotropic distributionRing angleCatalystNearest-neighbor effectsMoleculesPlane rotationSurfaceTilt angle
2015
Triplet Oxygen Evolution Catalyzed by a Biomimetic Oxomanganese Complex: Functional Role of the Carboxylate Buffer
Rivalta I, Yang K, Brudvig G, Batista V. Triplet Oxygen Evolution Catalyzed by a Biomimetic Oxomanganese Complex: Functional Role of the Carboxylate Buffer. ACS Catalysis 2015, 5: 2384-2390. DOI: 10.1021/acscatal.5b00048.Peer-Reviewed Original ResearchOxomanganese complexesTriplet oxygenOxygen evolutionWater splittingCatalytic oxygen evolutionO bond formationBiomimetic oxomanganese complexesNucleophilic water moleculeUnderlying reaction mechanismGreen plant chloroplastsPhotosynthetic oxygen evolutionWater ligandsCarboxylate ligandsInorganic coreMn complexesSuperoxo speciesNoninnocent roleCarboxylate groupsWater moleculesSubstrate waterBond formationSynthetic complexesCarboxylate buffersNucleophilic attackRedox potential
2011
Covalent Attachment of a Rhenium Bipyridyl CO2 Reduction Catalyst to Rutile TiO2
Anfuso C, Snoeberger R, Ricks A, Liu W, Xiao D, Batista V, Lian T. Covalent Attachment of a Rhenium Bipyridyl CO2 Reduction Catalyst to Rutile TiO2. Journal Of The American Chemical Society 2011, 133: 6922-6925. PMID: 21504161, DOI: 10.1021/ja2013664.Peer-Reviewed Original ResearchSum frequency generation spectroscopyCO2 reduction catalystsDensity functional theory calculationsFrequency generation spectroscopyFunctional theory calculationsReduction catalystCarboxylate groupsGeneration spectroscopyTheory calculationsCovalent attachmentLinkage motifsCovalent bindingCatalystCatalysisMoietySpectroscopySurfaceTiO2Complexes