The Malaprade reaction mechanism for ethylene glycol oxidation by periodic acid based on density functional theory (DFT)
Agata Kołodziejczyk, Mikołaj Błaziak, Kinga Podgórniak, Aneta Jezierska, Kacper Błaziak
Abstract
A general mechanism of the Malaprade oxidative carbon–carbon bond cleavage reaction of α-glycol in the presence of periodic acid has been proposed on the basis of density functional theory (DFT) computations.
Topics & Concepts
ChemistryDensity functional theoryIntramolecular forceEthylene glycolTransition state theoryComputational chemistryReaction mechanismElementary reactionMoleculeTransition stateHydrogen bondThermodynamicsReaction rate constantStereochemistryOrganic chemistryCatalysisKineticsQuantum mechanicsPhysicsAdvanced Chemical Physics StudiesInorganic and Organometallic ChemistryFree Radicals and Antioxidants