Evidence for a Water-catalyzed Mechanism in the Activation of H2O2 by Methyltrioxorhenium

A combined computational and experimental study of the reaction of CH₃ReO₃ with H₂O₂ was performed to understand the origins of discrepancies in the previously reported experimental reaction kinetics, as well as between computed and experimentally measured kinetics. A water-catalyzed mechanism was found, which brings theory and experiment into closer agreement.