Molecular Catalysts with Intramolecular Re-O Bond for Electrochemical Reduction of Carbon Dioxide.

ABSTRACT: A new Re bipyridine-type complex, namely, fac-Re(pmbpy)(CO)₃Cl (pmbpy = 4-phenyl-6-(2-hydroxy-phenyl)-2,2'-bipyridine), 1, carrying a single OH moiety as local proton source, has been synthesized, and its electrochemical behavior under Ar and under CO₂ has been characterized. Two isomers of 1, namely, 1-cis characterized by the proximity of Cl to OH and 1-trans, are identified. The interconversion between 1-cis and 1-trans is clarified by DFT calculations, which reveal two transition states. The energetically lower pathway displays a non-negligible barrier of 75.5 kJ mol^-1. The 1e^- electrochemical reduction of 1 affords the neutral intermediate 1-OPh, forma

SUBMITTER: Rotundo L 

PROVIDER: S-EPMC8009525 | biostudies-literature | 2020 Sep

REPOSITORIES: biostudies-literature