Analyzing Structure-Activity Variations for Mn-Carbonyl Complexes in the Reduction of CO₂ to CO.

ABSTRACT: Contemporary electrocatalysts for the reduction of CO₂ often suffer from low stability, activity, and selectivity, or a combination thereof. Mn-carbonyl complexes represent a promising class of molecular electrocatalysts for the reduction of CO₂ to CO as they are able to promote this reaction at relatively mild overpotentials, whereby rare-earth metals are not required. The electronic and geometric structure of the reaction center of these molecular electrocatalysts is precisely known and can be tuned via ligand modifications. However, ligand characteristics that are required to achieve high catalytic turnover at minimal overpotential remain unclear. We consider 55 Mn-carbonyl complexes, which have previously been synthesized and characterized experimentally. Four int

SUBMITTER: Florian J 

PROVIDER: S-EPMC9832541 | biostudies-literature | 2023 Jan

REPOSITORIES: biostudies-literature