2006
Determination of μ-Oxo Exchange Rates in Di-μ-Oxo Dimanganese Complexes by Electrospray Ionization Mass Spectrometry
Tagore R, Chen, Crabtree RH, Brudvig GW. Determination of μ-Oxo Exchange Rates in Di-μ-Oxo Dimanganese Complexes by Electrospray Ionization Mass Spectrometry. Journal Of The American Chemical Society 2006, 128: 9457-9465. PMID: 16848483, DOI: 10.1021/ja061348i.Peer-Reviewed Original ResearchMolecular Recognition in the Selective Oxygenation of Saturated C-H Bonds by a Dimanganese Catalyst
Das S, Incarvito CD, Crabtree RH, Brudvig GW. Molecular Recognition in the Selective Oxygenation of Saturated C-H Bonds by a Dimanganese Catalyst. Science 2006, 312: 1941-1943. PMID: 16809537, DOI: 10.1126/science.1127899.Peer-Reviewed Original ResearchConceptsHydrogen bondingMolecular recognitionH bondsCarboxylic acid groupsMolecular recognition elementsSynthetic catalystsSaturated CKemp's triacidSelective oxygenationCOOH groupRegioselective functionalizationH activationHigh selectivityAcid groupsRecognition groupReactive centerRecognition elementCatalystTriacidOrient substratesSelectivityBondingBondsControl experimentsSubstrate
2005
High‐Spin Chloro Mononuclear MnIII Complexes: A Multifrequency High‐Field EPR Study
Mantel C, Chen H, Crabtree R, Brudvig G, Pécaut J, Collomb M, Duboc C. High‐Spin Chloro Mononuclear MnIII Complexes: A Multifrequency High‐Field EPR Study. ChemPhysChem 2005, 6: 541-546. PMID: 15799481, DOI: 10.1002/cphc.200400484.Peer-Reviewed Original ResearchConceptsElectronic propertiesLigand field strengthHigh-Field EPR StudyPorphyrinic systemsTridentate ligandMnIII complexesDistorted octahedronLigands decreasesSolid stateJahn-Teller distortionPrevious complexesStructural characterizationCrystallographic dataEPR studiesMultifrequency EPRManganese ionsComplexesOctahedraTetragonal distortionE termDifferent temperaturesAnionsEPRLigandsProperties
2004
Dimer-of-Dimers Model for the Oxygen-Evolving Complex of Photosystem II. Synthesis and Properties of [MnIV 4O5(terpy)4(H2O)2](ClO4)6
Chen H, Faller J, Crabtree R, Brudvig G. Dimer-of-Dimers Model for the Oxygen-Evolving Complex of Photosystem II. Synthesis and Properties of [MnIV 4O5(terpy)4(H2O)2](ClO4)6. Journal Of The American Chemical Society 2004, 126: 7345-7349. PMID: 15186173, DOI: 10.1021/ja037389l.Peer-Reviewed Original Research
2002
Two New Terpyridine Dimanganese Complexes: A Manganese(III,III) Complex with a Single Unsupported Oxo Bridge and a Manganese(III,IV) Complex with a Dioxo Bridge. Synthesis, Structure, and Redox Properties
Baffert C, Collomb M, Deronzier A, Pécaut J, Limburg J, Crabtree R, Brudvig G. Two New Terpyridine Dimanganese Complexes: A Manganese(III,III) Complex with a Single Unsupported Oxo Bridge and a Manganese(III,IV) Complex with a Dioxo Bridge. Synthesis, Structure, and Redox Properties. Inorganic Chemistry 2002, 41: 1404-1411. PMID: 11896708, DOI: 10.1021/ic0107375.Peer-Reviewed Original ResearchConceptsOxo bridgeElectrochemical behaviorX-ray structureMononuclear complexesComplexes 4Oxo complexesRedox propertiesAqua complexesDimanganese complexesOrganic mediaTrans complexesCis geometrySolid stateDioxo bridgeTrans geometryCis complexesDisproportionation processTrans configurationCrystallographic formsComplexesMn atomsCisMonooxoLigandsSynthesis
2001
Effects of tail‐like substituents on the binding of competitive inhibitors to the QB site of photosystem II
Reifler M, Szalai V, Peterson C, Brudvig G. Effects of tail‐like substituents on the binding of competitive inhibitors to the QB site of photosystem II. Journal Of Molecular Recognition 2001, 14: 157-165. PMID: 11391786, DOI: 10.1002/jmr.529.Peer-Reviewed Original ResearchConceptsQB siteAqueous phasePhotosystem IIBulk aqueous phaseCritical micelle concentrationTriazine-type herbicidesQuinone-binding sitePhenylurea moietyEffect of chargeAlkyl chainsHydrophobic tailSolvent conditionsMicelle concentrationPara positionPhenylurea compoundsS-triazineAlkylamino groupSubstituentsSmall libraryHydrophobic linkerMolecular rulerHydrophilic domainsNonspecific bindingChargeCompetitive inhibitorHigh-Frequency EPR Study of a New Mononuclear Manganese(III) Complex: [(terpy)Mn(N3)3] (terpy = 2,2‘:6‘,2‘ ‘-Terpyridine)
Limburg J, Vrettos J, Crabtree R, Brudvig G, de Paula J, Hassan A, Barra A, Duboc-Toia C, Collomb M. High-Frequency EPR Study of a New Mononuclear Manganese(III) Complex: [(terpy)Mn(N3)3] (terpy = 2,2‘:6‘,2‘ ‘-Terpyridine). Inorganic Chemistry 2001, 40: 1698-1703. PMID: 11261982, DOI: 10.1021/ic001118j.Peer-Reviewed Original ResearchMeSH KeywordsCrystallography, X-RayElectron Spin Resonance SpectroscopyManganese CompoundsModels, MolecularMolecular StructureOrganometallic CompoundsPyridines
1996
EPR Spectroscopic Characterization of Neuronal NO Synthase †
Galli C, MacArthur R, Abu-Soud H, Clark P, Stuehr D, Brudvig G. EPR Spectroscopic Characterization of Neuronal NO Synthase †. Biochemistry 1996, 35: 2804-2810. PMID: 8611587, DOI: 10.1021/bi9520444.Peer-Reviewed Original ResearchConceptsSpin-spin couplingElectron transferHeme ironElectron paramagnetic resonance spectroscopyEPR spectroscopic characterizationParamagnetic resonance spectroscopyOxygenase domainZero-field splitting parametersFirst coordination shellHeme redox centersNNOS oxygenase domainAir-stable semiquinoneSpectroscopic characterizationRedox centersReductase domainFlavin radicalsInterdomain electron transferFlavin semiquinoneCoordination shellResonance spectroscopyMicrowave power saturationSubstrates bindAnaerobic conditionsSubstrate bindingSemiquinone