Outline
DOI: 10.1039/d6ra08249a ISSN: 2046-2069
Competition between hydrogen atom transfer and carbon radical addition pathways in ClO 2 oxidation of dihydroxybenzenes for water treatment: a DFT study
Gifta Evangeline Henry, Abishek Kumaresan, Swaminathan Angeline VedhaDFT reveals competing HAT and CRA pathways in ClO 2 oxidation of dihydroxybenzenes. The hydroxyl positioning controls pathway preference, reaction kinetics, and FAC formation.
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