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 Jul 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

This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence. You can use material from this article in other publications, without requesting further permission from the RSC, provided that the correct acknowledgement is given and it is not used for commercial purposes.

To request permission to reproduce material from this article in a commercial publication, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party commercial publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.

Social activity

Spotlight

Advertisements