Electric fields drive bond homolysis
Boyuan Zhang, Cédric Schaack, Claudia R. Prindle, Ethan Vo, Miriam Aziz, Michael L. Steigerwald, Timothy C. Berkelbach, Colin Nuckolls, Latha Venkataraman
Abstract
quantification by high performance liquid chromatography using a UV-vis detector, we find that the electric field catalyzes the reaction. Importantly, we demonstrate that the reaction rate in a field increases linearly with the solvent dielectric constant. Using density functional theory calculations, we show that the applied electric field decreases the dissociation energy of the O-O bond and stabilizes the product relative to the reactant due to their different dipole moments.
Topics & Concepts
HomolysisElectric fieldChemistryDissociation (chemistry)Density functional theoryReaxFFDipoleBond cleavagePhotochemistryRadicalQuantum tunnellingReaction rate constantChemical physicsCatalysisDielectricAnalytical Chemistry (journal)Computational chemistryPhysical chemistryOrganic chemistryOptoelectronicsMaterials scienceMoleculeKineticsHydrogen bondPhysicsQuantum mechanicsMolecular Junctions and NanostructuresElectrochemical Analysis and ApplicationsCO2 Reduction Techniques and Catalysts