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Experimental and Computational Studies of the Copper Borate Complexes [(NHC)Cu(HBEt3)] and [(NHC)Cu(HB(C6F5)3)] |
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| Authors: | Dr Lee R Collins Nasir A Rajabi Prof Stuart A Macgregor Dr Mary F Mahon Prof Michael K Whittlesey |
| Institution: | 1. Department of Chemistry, University of Bath, Bath, UK;2. Institute of Chemical Sciences, Heriot Watt University, Edinburgh, UK |
| Abstract: | The synthesis of the Cu‐borate complexes (6Mes)Cu(HBR3)] featuring the unusual HBEt3]? ( 5 ) and HB(C6F5)3]? ( 6 ) ligands is described. Experimental and computational studies show both compounds feature a direct Cu–H interaction, but that while 5 is two‐coordinate, 6 displays an additional, stabilizing Cu–Cipso(C6F5) interaction. |
| Keywords: | copper DFT calculations hydride ligand Lewis acids N-heterocyclic carbene |