Issue 37, 2017

The role of spin states in the catalytic mechanism of the intra- and extradiol cleavage of catechols by O2

Abstract

Iron-dependent enzymes and biomimetic iron complexes can catalyze the ring cleavage of very inert, aromatic compounds. The mechanisms of these transformations and the factors that lead either to extradiol cleavage or intradiol cleavage have not been fully understood. By using density functional theory we have elucidated the mechanism of the catalytic cycle for two biomimetic complexes, and explained the difference in the experimentally obtained products.

Graphical abstract: The role of spin states in the catalytic mechanism of the intra- and extradiol cleavage of catechols by O2

Supplementary files

Article information

Article type
Paper
Submitted
22 Jūl. 2017
Accepted
29 Aug. 2017
First published
29 Aug. 2017
This article is Open Access
Creative Commons BY-NC license

Org. Biomol. Chem., 2017,15, 7860-7868

The role of spin states in the catalytic mechanism of the intra- and extradiol cleavage of catechols by O2

S. Stepanović, D. Angelone, M. Gruden and M. Swart, Org. Biomol. Chem., 2017, 15, 7860 DOI: 10.1039/C7OB01814B

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