Journal
CHEMISTRY-A EUROPEAN JOURNAL
Volume 9, Issue 14, Pages 3436-3444Publisher
WILEY-V C H VERLAG GMBH
DOI: 10.1002/chem.200204444
Keywords
density functional calculations; Fenton reaction; ferryl-oxo complex; oxidation
Categories
Ask authors/readers for more resources
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 (FeO2+)-O-IV 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, (FeO2+)-O-IV can react with hydrogen peroxide to produce O-2 and regenerate the Fe2+ catalyst. These results are also relevant in view of the analogies with important enzyme-catalyzed oxidation reactions.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available