%0 Journal Article
%@ 0276-7333
%A Normand, AT
%A Hawkes, KJ
%A Clement, ND
%A Cavell, KJ
%A Yates, BF
%D 2007
%F epprod:3798
%I American Chemical Society
%J Organometallics
%N 22
%P 5252-5363
%T Atom-efficient catalytic coupling of imidazolium salts with ethylene involving Ni-NHC complexes as intermediates: a combined experimental and DFT study
%U http://eprints.utas.edu.au/3798/
%V 26
%X 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.
%Z Copyright © 2007 American Chemical Society.