title: Secondary coordination sphere interactions facilitate the insertion step in an iridium(III) CO2 reduction catalyst.
abstract: There is considerable interest in both catalysts for CO(2) conversion and understanding how CO(2) reacts with transition metal complexes. Here we develop a simple model for predicting the thermodynamic favorability of CO(2) insertion into Ir(III) hydrides. In general this reaction is unfavorable; however, we demonstrate that with a hydrogen bond donor in the secondary coordination sphere it is possible to isolate a formate product from this reaction. Furthermore, our CO(2) inserted product is one of the most active water-soluble catalysts reported to date for CO(2) hydrogenation.
authors: The Department of Chemistry, Yale University, P.O. Box 208107, New Haven, Connecticut 06520, USA.
authors: Timothy J
authors: TJ
authors: Schmeier
authors: Graham E
authors: GE
authors: Dobereiner
authors: Robert H
authors: RH
authors: Crabtree
authors: Nilay
authors: N
authors: Hazari