creators_name: Normand, AT
creators_name: Hawkes, KJ
creators_name: Clement, ND
creators_name: Cavell, KJ
creators_name: Yates, BF
creators_id: 
creators_id: K.J.Hawkes@utas.edu.au
creators_id: 
creators_id: k.j.cavell@utas.edu.au
creators_id: Brian.Yates@utas.edu.au
type: article
datestamp: 2008-04-07 14:07:13
lastmod: 2008-11-12 23:44:52
metadata_visibility: show
title: Atom-efficient catalytic coupling of imidazolium salts with ethylene involving Ni-NHC complexes as intermediates: a combined experimental and DFT study
ispublished: pub
subjects: 259901
full_text_status: restricted
note: Copyright © 2007 American Chemical Society.
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 Nicarbene
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.
date: 2007
date_type: published
publication: Organometallics
volume: 26
number: 22
publisher: American Chemical Society
pagerange: 5252-5363
id_number: 10.1021/om070181e
refereed: TRUE
issn: 0276-7333
official_url: http://dx.doi.org/10.1021/om070181e
citation: Normand, AT and Hawkes, KJ and Clement, ND and Cavell, KJ and Yates, BF (2007) 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
document_url: http://eprints.utas.edu.au/3798/1/3798.pdf