The Electronic States of Rhenium Bipyridyl Electrocatalysts for CO₂ Reduction as Revealed by X‐ray Absorption Spectroscopy and Computational Quantum Chemistry

Abstract

Where are the electrons that allow a highly reduced rhenium bipyridyl catalyst to attack CO2, but not H+? XAS and computational quantum chemistry indicate that the negative charge in [Re(bpy)(CO)3]− and [Re(bpy-tBu)(CO)3]− is not stored in a localized Re 5d state, but rather in the bipyridine ligand . The active states of this family of catalysts possess formally Re0 metal centers with singly reduced bipyridine ligands. As a service to our authors and readers, this journal provides supporting information supplied by the authors. Such materials are peer reviewed and may be re-organized for online delivery, but are not copy-edited or typeset. Technical support issues arising from supporting information (other than missing files) should be addressed to the authors. Please note: The publisher is not responsible for the content or functionality of any supporting information supplied by the authors. Any queries (other than missing content) should be directed to the corresponding author for the article.