Theoretical Modeling of Low-Energy Electronic Absorption Bands in Reduced Cobaloximes
Dr. Anirban Bhattacharjee, Dr. Murielle Chavarot-Kerlidou, Prof. Jillian L. Dempsey, Prof. Harry B. Gray, Dr. Etsuko Fujita, Dr. James T. Muckerman, Prof. Marc Fontecave, Dr. Vincent Artero, Prof. Guilherme M. Arantes and Dr. Martin J. Field
Article first published online: 11 AUG 2014 | DOI: 10.1002/cphc.201402398
Hydrogen anyone? Cobaloximes are efficient hydrogen-evolving catalysts. A combined experimental and theoretical study provides insights into the electronic structures of the reduced forms of these compounds which are known to be important intermediates in their catalytic cycles.