Exploring the intermediates of photochemical CO2 reduction: reaction of Re(dmb)(CO)3 COOH with CO2.
We have investigated the reaction of Re(dmb)(CO)(3)COOH with CO(2) using density functional theory, and propose a mechanism for the production of CO. This mechanism supports the role of Re(dmb)(CO)(3)COOH as a key intermediate in the formation of CO. Our new experimental work supports the proposed scheme.
Center for Computational Chemistry, University of Georgia, USA.
Jay
J
Agarwal
Brian C
BC
Sanders
Etsuko
E
Fujita
Henry F
HF
Schaefer
Todd C
TC
Harrop
James T
JT
Muckerman