eCite Digital Repository

Atom-Efficient Catalytic Coupling of Imidazolium Salts with Ethylene Involving Ni-NHC Complexes as Intermediates: A Combined Experimental and DFT Study

Citation

Normand, AT and Hawkes, KJ and Clement, ND and Cavell, KJ and Yates, BF, Atom-Efficient Catalytic Coupling of Imidazolium Salts with Ethylene Involving Ni-NHC Complexes as Intermediates: A Combined Experimental and DFT Study, Organometallics, 26, (22) pp. 5252-5363. ISSN 0276-7333 (2007) [Refereed Article]

DOI: doi:10.1021/om070125d

Abstract

The coupling reaction between azolium salts (N-heterocyclic carbene precursors) and ethylene, catalyzed by zerovalent nickel complexes, has been investigated using a combination of experiment and density functional theory (DFT). The reaction proceeds via a redox mechanism involving the generation of Ni-carbene intermediates. The experimental studies employed an in situ catalyst system, derived from Ni-(COD)2 and a variety of phosphine and N-heterocyclic carbene spectator ligands, to couple 1-propyl-3-methylimidazolium bromide (ionic liquid) and other azolium salts with ethylene. The DFT studies employed the simpler dimethylimidazolium salt to model the reaction. © 2007 American Chemical Society.

Item Details

Item Type:Refereed Article
Research Division:Chemical Sciences
Research Group:Other Chemical Sciences
Research Field:Organometallic Chemistry
Objective Division:Expanding Knowledge
Objective Group:Expanding Knowledge
Objective Field:Expanding Knowledge in the Chemical Sciences
Author:Hawkes, KJ (Dr Kirsty Hawkes)
Author:Yates, BF (Professor Brian Yates)
ID Code:51081
Year Published:2007
Web of Science® Times Cited:59
Deposited By:Chemistry
Deposited On:2007-08-01
Last Modified:2009-08-13
Downloads:0

Repository Staff Only: item control page