title: Experimental and Computational Studies of the Copper Borate Complexes [(NHC)Cu(HBEt3)] and [(NHC)Cu(HB(C6F5)3)].
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.
authors.affiliation: Department of Chemistry, University of Bath, Claverton Down, Bath, BA2 7AY, UK.
authors.forename: Lee R
authors.initials: LR
authors.lastname: Collins
authors.affiliation: Institute of Chemical Sciences, Heriot Watt University, Edinburgh, EH14 4AS, UK.
authors.forename: Nasir A
authors.initials: NA
authors.lastname: Rajabi
authors.affiliation: Institute of Chemical Sciences, Heriot Watt University, Edinburgh, EH14 4AS, UK.
authors.forename: Stuart A
authors.identifier: 0000-0003-3454-6776
authors.initials: SA
authors.lastname: Macgregor
authors.affiliation: Department of Chemistry, University of Bath, Claverton Down, Bath, BA2 7AY, UK.
authors.forename: Mary F
authors.initials: MF
authors.lastname: Mahon
authors.affiliation: Department of Chemistry, University of Bath, Claverton Down, Bath, BA2 7AY, UK.
authors.forename: Michael K
authors.identifier: 0000-0002-5082-3203
authors.initials: MK
authors.lastname: Whittlesey
keywords: DFT calculations; Lewis acids; N-heterocyclic carbene; copper; hydride ligand