DFT Study on the Interaction of Tris(benzene-1,2-dithiolato)molybdenum Complex with Water. A Hydrolysis Mechanism Involving a Feasible Seven-Coordinate Aquomolybdenum Intermediate-Reference-Cited by-同舟云学术

DFT Study on the Interaction of Tris(benzene-1,2-dithiolato)molybdenum Complex with Water. A Hydrolysis Mechanism Involving a Feasible Seven-Coordinate Aquomolybdenum Intermediate

Published:2016-11-28 Issue:48 Volume:120 Page:9636-9646
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Fernández Lorenzo¹,Pérez-Pla Francisco F.¹,Tuñón Iñaki²,Llopis Elisa¹

Affiliation:

1. Institut de Cíencia dels Materials (ICMUV), c/Catedrático Beltrán 2, 46980, Valencia, Spain

2. Departamento de Química Física, Universitat de València, Dr. Moliner 50, 46100, Burjassot, Valencia, Spain

Funder

Ministerio de Educación, Cultura y Deporte

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.6b10233

Reference78 articles.

1. The Mononuclear Molybdenum Enzymes

2. Chemical keys to molybdenum enzymes *

3. Mechanism of tungsten-dependent acetylene hydratase from quantum chemical calculations

4. Tungsten-dependent formaldehyde ferredoxin oxidoreductase: Reaction mechanism from quantum chemical calculations

5. Evidence for the Formation of a Mo–H Intermediate in the Catalytic Cycle of Formate Dehydrogenase

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