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

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 A. Rajabi, Stuart A. Macgregor^*, Mary F. Mahon, Michael K. Whittlesey

^*Corresponding author for this work

School of Chemistry

Research output: Contribution to journal › Article › peer-review

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–C_ipso(C₆F₅) interaction.

Original language	English
Pages (from-to)	15539-15543
Number of pages	5
Journal	Angewandte Chemie - International Edition
Volume	55
Issue number	50
DOIs	https://doi.org/10.1002/anie.201608081
Publication status	Published - 12 Dec 2016

Keywords

copper
DFT calculations
hydride ligand
Lewis acids
N-heterocyclic carbene

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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.",

keywords = "copper, DFT calculations, hydride ligand, Lewis acids, N-heterocyclic carbene",

author = "Collins, {Lee R.} and Rajabi, {Nasir A.} and Macgregor, {Stuart A.} and Mahon, {Mary F.} and Whittlesey, {Michael K.}",

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T1 - Experimental and Computational Studies of the Copper Borate Complexes [(NHC)Cu(HBEt3)] and [(NHC)Cu(HB(C6F5)3)]

AU - Collins, Lee R.

AU - Rajabi, Nasir A.

AU - Macgregor, Stuart A.

AU - Mahon, Mary F.

AU - Whittlesey, Michael K.

PY - 2016/12/12

Y1 - 2016/12/12

N2 - 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.

AB - 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.

KW - copper

KW - DFT calculations

KW - hydride ligand

KW - Lewis acids

KW - N-heterocyclic carbene

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JO - Angewandte Chemie - International Edition

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IS - 50

ER -

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

Abstract

Keywords

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