Experimental and computational studies of the copper borate complexes [(NHC)Cu(HBEt3)] and [(NHC)Cu(HB(C6F5)3)]

Lee R. Collins, Nasir A. Rajabi, Stuart A. 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 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.

Original languageEnglish
Pages (from-to)15539-15543
Number of pages5
JournalAngewandte Chemie-International Edition
Volume55
Issue number50
Early online date15 Nov 2016
DOIs
Publication statusPublished - 5 Dec 2016

Keywords

  • copper
  • DFT calculations
  • hydride ligand
  • Lewis acids
  • N-heterocyclic carbene

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