Mode Specificity in the OH + HO<sub>2</sub> → H<sub>2</sub>O + O<sub>2</sub> Reaction: Enhancement of Reactivity by Exciting a Spectator Mode
Yang Liu, Hongwei Song, Daiqian Xie, Jun Li, Hua Guo
Abstract
due to the larger dipole of the stretched OH. At low collision energies, the stronger attraction increases the chance of capturing the reactants to form a hydrogen-bonded complex, thus of passing through the submerged barrier. The novel mechanism differs from the conventional vibrational enhancement via coupling to the reaction coordinate at the transition state, enriching our understanding of mode specificity in chemistry.
Topics & Concepts
ChemistryReactivity (psychology)ExcitationDipoleReaction coordinateMode (computer interface)Reaction mechanismMolecular vibrationHydrogenChemical physicsChemical reactionTransition statePhotochemistryAtomic physicsComputational chemistryMoleculeCatalysisQuantum mechanicsOrganic chemistryPhysicsComputer scienceAlternative medicineMedicinePathologyOperating systemAtmospheric chemistry and aerosolsAdvanced Chemical Physics StudiesSpectroscopy and Quantum Chemical Studies