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Atom-efficient catalytic coupling of imidazolium salts with ethylene involving Ni-NHC complexes as intermediates: a combined experimental and DFT study

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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

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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.

Item Type: Article
Journal or Publication Title: Organometallics
Publisher: American Chemical Society
Page Range: pp. 5252-5363
ISSN: 0276-7333
Identification Number - DOI: 10.1021/om070181e
Additional Information:

Copyright © 2007 American Chemical Society.

Date Deposited: 07 Apr 2008 14:07
Last Modified: 18 Nov 2014 03:33
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