2017
Thermodynamic and Structural Factors That Influence the Redox Potentials of Tungsten–Alkylidyne Complexes
Rudshteyn B, Vibbert H, May R, Wasserman E, Warnke I, Hopkins M, Batista V. Thermodynamic and Structural Factors That Influence the Redox Potentials of Tungsten–Alkylidyne Complexes. ACS Catalysis 2017, 7: 6134-6143. DOI: 10.1021/acscatal.7b01636.Peer-Reviewed Original ResearchTungsten alkylidyne complexesRedox propertiesOxidation potentialGas-phase ionization energiesKey frontier orbitalsDensity functional theory levelX bond lengthsFree energy calculationsSolvation free energy differencesAlkylidyne ligandFrontier orbitalsHOMO energyFree energy differenceBond lengthsObserved linear correlationRedox potentialTheory levelEnergy calculationsIonization energyEnergy differenceComplexesStructural factorsElectrochemistryGood descriptorLinear correlation
1999
Femtosecond photoelectron spectroscopy of the I2− anion: Characterization of the Ã′ 2Πg,1/2 excited state
Zanni M, Batista V, Greenblatt B, Miller W, Neumark D. Femtosecond photoelectron spectroscopy of the I2− anion: Characterization of the Ã′ 2Πg,1/2 excited state. The Journal Of Chemical Physics 1999, 110: 3748-3755. DOI: 10.1063/1.478264.Peer-Reviewed Original ResearchFemtosecond photoelectron spectroscopyEquilibrium bond lengthPhotoelectron spectroscopyBond lengthsWell depthPotential energy curvesUpper state potentialRepulsive potential wallExcited statesEnergy curvesState potentialPotential wallSemiempirical resultsSpectroscopyMorse potentialAnionsAttractive portionStateSpectraPotential