Electronic structure analysis of electrochemical CO<sub>2</sub> reduction by iron-porphyrins reveals basic requirements for design of catalysts bearing non-innocent ligands-Reference-Cited by-同舟云学术

Electronic structure analysis of electrochemical CO₂ reduction by iron-porphyrins reveals basic requirements for design of catalysts bearing non-innocent ligands

Published:2022 Issue:34 Volume:13 Page:10029-10047
ISSN:2041-6520
Container-title:Chemical Science
language:en
Short-container-title:Chem. Sci.

Author:

Tarrago Maxime¹,Ye Shengfa¹²^ORCID,Neese Frank¹

Affiliation:

1. Max-Planck-Institut für Kohlenforschung, Kaiser-Wilhelm-Platz 1, D-45470 Mülheim an der Ruhr, Germany

2. State Key Laboratory of Catalysis, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, China

Abstract

This computational study elucidates the role played by ligand non-innocence in CO2 reduction on the basis of analyses of electronic structure evolution of highly efficient iron-tetraphenylporphyrin and ten other transition metal complexes, all bearing non-innocent ligands.

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2022/SC/D2SC01863B

Reference121 articles.

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