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Reply to the 'Comment on "Theoretical investigations on hydrogen peroxide decomposition in aquo"' by W. H. Koppenol, Phys. Chem. Chem. Phys., 2021, 23, DOI: 10.1039/D1CP03545B.

Takao TsunedaTetsuya Taketsugu
Published in: Physical chemistry chemical physics : PCCP (2021)
Following the comment article by Koppenol (W. H. Koppenol, Phys. Chem. Chem. Phys., 2021, 23, DOI: 10.1039/D1CP03545B), the H2O2 decomposition reaction mechanism based on the production of a de facto monovalent iron ion hydration complex, which is theoretically proposed in T. Tsuneda and T. Taketsugu, Phys. Chem. Chem. Phys., 2018, 20, 24992-24999, is reviewed from the standpoint of chemical kinetics. As a result, it is found that this decomposition mechanism is strongly supported by comparing the Gibbs energies of formation in consideration of the O-O bond dissociation of H2O2 for de facto monovalent iron, ferrous, and ferric ion complexes.
Keyphrases
  • hydrogen peroxide
  • nitric oxide