Exploring the intermediates of photochemical CO2reduction: reaction of Re(dmb)(CO)3 COOH with CO2†
Abstract
We have investigated the reaction of Re(dmb)(CO)3COOH with CO2 using density functional theory, and propose a mechanism for the production of CO. This mechanism supports the role of Re(dmb)(CO)3COOH as a key intermediate in the formation of CO. Our new experimental work supports the proposed scheme.