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Computational analysis of non-heme iron–oxo formation by direct NO release in nitrite reduction

  • Published:2019 Issue:12 Volume:21 Page:6643-6650
  • ISSN:1463-9076
  • Container-title:Physical Chemistry Chemical Physics
  • language:en
  • Short-container-title:Phys. Chem. Chem. Phys.

Author:

Wang Jian12345ORCID,Zhao Yuan-yuan6789ORCID,Lee Po-Heng1011125ORCID,Wu Kechen12345ORCID

Affiliation:

1. State Key Laboratory of Structural Chemistry

2. Fujian Institute of Research on the Structure of Matter

3. Chinese Academy of Sciences

4. Fuzhou 350002

5. People's Republic of China

6. Frankfurt Institute for Advanced Studies (FIAS)

7. Goethe-University

8. D-60438 Frankfurt am Main

9. Germany

10. Department of Civil and Environmental Engineering

11. The Hong Kong Polytechnic University

12. Kowloon

Abstract

The conversion of Fe(ii) → Fe(iii)–O was depicted for the formation of [N(afaCy)3FeO]+ with three (Fe)O⋯H–N bonds.

Funder

National Natural Science Foundation of China

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

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