A radical rebound mechanism for the methane oxidation reaction promoted by the dicopper center of a pMMO enzyme: a computational perspective-Reference-Cited by-同舟云学术

A radical rebound mechanism for the methane oxidation reaction promoted by the dicopper center of a pMMO enzyme: a computational perspective

Published:2016 Issue:6 Volume:45 Page:2492-2504
ISSN:1477-9226
Container-title:Dalton Transactions
language:en
Short-container-title:Dalton Trans.

Author:

Da Silva Júlio C. S.¹²³⁴⁵,Pennifold Robert C. R.⁶⁷⁸⁹¹⁰,Harvey Jeremy N.¹¹¹²¹³,Rocha Willian R.¹⁴¹⁵¹⁶¹⁷¹⁸

Affiliation:

1. BioMat: Biomaterial Modeling Group

2. Departamento de Química Fundamental

3. CCEN

4. Universidade Federal de Pernambuco

5. Cidade Universitária

6. Centre for Computational Chemistry

7. School of Chemistry

8. University of Bristol

9. Bristol

10. UK

11. Department of Chemistry

12. B-3001 Heverlee

13. Belgium

14. LQC-MM: Laboratório de Química Computacional e Modelagem Molecular

15. Departamento de Química

16. ICEX

17. Universidade Federal de Minas Gerais

18. Belo Horizonte

Abstract

Hydrogen Atom Transfer (HAT) promoted by a triplet state of the bis-oxoCu₂(iii) core generates a new radical rebound mechanism for the hydroxylation of methane catalyzed by the binuclear copper site of a pMMO enzyme.

Funder

Fundação de Amparo à Pesquisa do Estado de Minas Gerais

Conselho Nacional de Desenvolvimento Científico e Tecnológico

Publisher

Royal Society of Chemistry (RSC)

Subject

Inorganic Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2016/DT/C5DT02638E

Reference92 articles.

1. The coordination chemistry of saturated molecules

2. Transition Metal Alkane Complexes†

3. Understanding and exploiting C–H bond activation

4. Frontiers in enzymatic C–H-bond activation

5. Biologically inspired oxidation catalysis

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