A Comparative Study on the Oxidation Mechanisms of Substituted Phenolic Pollutants by Ferrate(VI) through Experiments and Density Functional Theory Calculations
Nannan Wu, Mingzhu Liu, Bingru Tian, Zunyao Wang, Virender K. Sharma, Ruijuan Qu
Abstract
-transfer reaction was -R > -X > -(C═O)-. Moreover, the DOT pathway was found in the oxidation of all four substituted phenols, indicating that it may be a common reaction mechanism during the ferrate(VI) oxidation of phenolic compounds.
Topics & Concepts
ChemistryElectron transferDensity functional theoryPhenolsReaction mechanismReactivity (psychology)Reaction rate constantRedoxOxidative coupling of methaneOxygenPhenolMolecular orbitalPhotochemistryInorganic chemistryComputational chemistryKineticsMoleculeCatalysisOrganic chemistryPhysicsPathologyAlternative medicineMedicineQuantum mechanicsAdvanced oxidation water treatmentFree Radicals and AntioxidantsIron oxide chemistry and applications