title: Atom-efficient catalytic coupling of imidazolium salts with ethylene involving Ni-NHC complexes as intermediates: a combined experimental and DFT study
creator: Normand, AT
creator: Hawkes, KJ
creator: Clement, ND
creator: Cavell, KJ
creator: Yates, BF
subject: 259901 Organometallic Chemistry
description: 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.
publisher: American Chemical Society
date: 2007
type: Article
type: PeerReviewed
format: application/pdf
identifier: http://eprints.utas.edu.au/3798/1/3798.pdf
relation: http://dx.doi.org/10.1021/om070181e
identifier: 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
relation: http://eprints.utas.edu.au/3798/