The E3 state of FeMoco: one hydride, two hydrides or dihydrogen?-Reference-Cited by-同舟云学术

The E3 state of FeMoco: one hydride, two hydrides or dihydrogen?

Published:2023 Issue:31 Volume:25 Page:21020-21036
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Pang Yunjie¹²,Bjornsson Ragnar²³^ORCID

Affiliation:

1. College of Chemistry, Beijing Normal University, 100875, Beijing, China

2. Max-Planck Institute for Chemical Energy Conversion, Stiftstrasse 34-36, 45470 Mülheim an der Ruhr, Germany

3. Univ. Grenoble Alpes, CNRS, CEA, IRIG, Laboratoire de Chimie et Biologie des Métaux, 17 Rue des Martyrs, F-38054 Grenoble, Cedex, France

Abstract

TheE3redox state of nitrogenase was systematically investigated by QM/MM calculations. The most stable structures feature an open belt-sulfide bridge and varying double-hydride coordination (or an H2ligand).

Funder

National Natural Science Foundation of China

China Scholarship Council

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2023/CP/D3CP01106B

Reference113 articles.

1. Mechanism of Molybdenum Nitrogenase

2. Structural Enzymology of Nitrogenase Enzymes

3. Reactivity, Mechanism, and Assembly of the Alternative Nitrogenases

4. Electron Transfer in Nitrogenase

5. Reduction of Substrates by Nitrogenases

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