P-Tu-BRC-50 Evidence for a Water-catalyzed Mechanism in the Activation of H2O2 by Methyltrioxorhenium

Tuesday, June 4, 2013
Ballroom C (Galt House Hotel)
Taeho Hwang, Bryan Goldsmith, Baron Peters and Susannah L. Scott, University of California Santa Barbara, USA.
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.

Extended Abstracts: