O2 evolution in the Fenton reaction

by Francesco Buda, Bernd Ensing, Michiel C M Gribnau, Evert Jan Baerends
Chemistry - A European Journal ()


We investigated the mechanism involved in the oxygen production in the Fenton chemistry by means of density functional theory calculations. This study extends previous work in which we proposed that the Fe(IV)O2+ complex is the key active intermediate in the Fenton reaction. Here we provide a consistent picture of the entire reaction cycle by analyzing how the active species, Fe(IV)O2+, can react with hydrogen peroxide to produce O2 and regenerate the Fe2+ catalyst. These results are also relevant in view of the analogies with important enzyme-catalyzed oxidation reactions.

Cite this document (BETA)

Readership Statistics

16 Readers on Mendeley
by Discipline
by Academic Status
38% Ph.D. Student
13% Post Doc
13% Associate Professor
by Country
6% United Kingdom
6% United States
6% Netherlands


Sign up today - FREE

Mendeley saves you time finding and organizing research. Learn more

  • All your research in one place
  • Add and import papers easily
  • Access it anywhere, anytime

Start using Mendeley in seconds!

Sign up & Download

Already have an account? Sign in