Experimental and Computational Studies of the Copper Borate Complexes [(NHC)Cu(HBEt3)] and [(NHC)Cu(HB(C6F5)3)]

Lee R. Collins; Nasir Ahmad Rajabi; Stuart Alan Macgregor; Mary F. Mahon; Michael K. Whittlesey

doi:10.1002/anie.201608081

Experimental and Computational Studies of the Copper Borate Complexes [(NHC)Cu(HBEt₃)] and [(NHC)Cu(HB(C₆F₅)₃)]

Lee R. Collins, Nasir Ahmad Rajabi, Stuart Alan Macgregor, Mary F. Mahon, Michael K. Whittlesey

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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 andcomputational studies show both compounds feature a directCu–H interaction, but that while 5 is two-coordinate, 6 displaysan additional, stabilizing Cu–Cipso(C6F5) interaction.

Original language	English
Pages (from-to)	15539–15543
Journal	Angewandte Chemie International Edition
Volume	55
Issue number	50
Early online date	15 Nov 2016
DOIs	https://doi.org/10.1002/anie.201608081
Publication status	Published - 5 Dec 2016

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This is the peer reviewed version of the following article: L. R. Collins, N. A. Rajabi, S. A. Macgregor, M. F. Mahon, M. K. Whittlesey, Angew. Chem. Int. Ed. 2016, 55, 15539, which has been published in final form at DOI: 10.1002/anie.201608081. This article may be used for non-commercial purposes in accordance With Wiley-VCH Terms and Conditions for self-archiving.
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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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Experimental and Computational Studies of the Copper Borate Complexes [(NHC)Cu(HBEt₃)] and [(NHC)Cu(HB(C₆F₅)₃)]