Title

Mechanism of Water Oxidation by Ferrate(VI) at pH 7 – 9.

Document Type

Journal Article

Publication Date

2018

Keywords

DFT calculations, diferrate, ferrate, O−O coupling, water oxidation

DOI

10.1002/chem.201803757

Abstract

The kinetics of water oxidation by K2FeO4 has been reinvestigated by UV/Vis spectrophotometry from pH 7–9 in 0.2 m phosphate buffer. The rate of reaction was found to be second‐order in both [FeO42−] and [H+]. These results are consistent with a proposed mechanism in which the first step involves the initial equilibrium protonation of FeO42− to give FeO3(OH)−, which then undergoes rate‐limiting O−O bond formation. Analysis of the O2 isotopic composition for the reaction in H218O suggests that the predominant pathway for water oxidation by ferrate is intramolecular O−O coupling. DFT calculations have also been performed, which support the proposed mechanism.

Source Publication

Chemistry - A European Journal

Volume Number

24

Issue Number

70

ISSN

0947-6539

First Page

18735

Last Page

18742

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