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

ABSTRACT: Electrocatalytic CO₂ reduction is a possible solution to the increasing CO₂ concentration in the earth's atmosphere, because it enables storage of energy while using the harmful CO₂ feedstock as a starting material. Notably, iron(ii) tetraphenylporphyrin, [Fe^II(TPP)]⁰ (TPP^2- = tetraphenylporphyrin tetra-anion diradical), and its derivatives have been established as one of the most promising families of homogeneous catalysts for CO₂ reduction into CO. Our earlier work has demonstrated that [Fe(TPP)]^2-, a catalytically active species, is best described as an Fe(ii) center antiferromagnetically coupled with a TPP^4- diradical. In fact, [Fe(TPP)]^2- represents a prototypical example of a

SUBMITTER: Tarrago M

PROVIDER: S-EPMC9430493 | biostudies-literature | 2022 Aug

REPOSITORIES: biostudies-literature

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

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

OmicsDI is part of the ELIXIR infrastructure

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