Secondary coordination sphere interactions facilitate the insertion step in an iridium(III) CO2 reduction catalyst |
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Authors: | Schmeier Timothy J Dobereiner Graham E Crabtree Robert H Hazari Nilay |
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Institution: | The Department of Chemistry, Yale University, P.O. Box 208107, New Haven, Connecticut 06520, USA. |
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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. |
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