A Carbene‐Rich but Carbonyl‐Poor [Ir6(IMe)8(CO)2H14]2+ Polyhydride Cluster as a Deactivation Product from Catalytic Glycerol Dehydrogenation |
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| Authors: | Jesús Campos Liam S. Sharninghausen Prof. Robert H. Crabtree Dr. David Balcells |
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| Affiliation: | 1. Department of Chemistry, Yale University, 225 Prospect Street, New Haven, Connecticut 06520 (USA);2. Department of Chemistry, University of Oslo, Centre of Excellence in Theoretical and Computational Chemistry (CTCC), N‐0315 Oslo (Norway) |
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| Abstract: | The title cluster, a deactivation product in the catalytic dehydrogenation of glycerol, was characterized by XRD, DFT calculations, HRMS, FTIR spectroscopy, and NMR spectroscopy. Experimental/computational studies located the 14 H ligands, and all 1H and 13C{1H} NMR resonances were assigned. The structure contains an unprecedented Ir6H14 core with two CO and eight IMe ligands. |
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| Keywords: | deactivation fluxionality N‐heterocyclic carbenes NMR spectroscopy nuclear Overhauser effect |
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