Reaction kinetics of 1,4-cyclohexadienes with OH radicals: an experimental and theoretical study
Binod Raj Giri, Tam V.‐T., Mohamed Assali, Thi T.-D. Nguyen, Hieu T. Nguyen, Milán Szöri, Lam K. Huynh, Christa Fittschen, Aamir Farooq
Abstract
the abstraction channel. Due to the competing channels, the reaction of OH radicals with 1,4-CHD displays complicated kinetic behaviours, reflecting the salient features of the energy profile. The role of competing channels was fully characterized by our kinetic model. The calculated rate coefficients showed excellent agreement with the available experimental data.
Topics & Concepts
ChemistryRadicalChemical kineticsFlash photolysisHydrogen atom abstractionKineticsActivation energyPhotochemistryReaction rate constantReaction rateKinetic energyReaction mechanismChemical reactionPhysical chemistryOrganic chemistryCatalysisPhysicsQuantum mechanicsCatalysis and Oxidation ReactionsAdvanced Chemical Physics StudiesFree Radicals and Antioxidants