TY  - JOUR
N1  - Copyright © 2007 American Chemical Society.
ID  - epprod3798
UR  - http://dx.doi.org/10.1021/om070181e
IS  - 22
A1  - Normand, AT
A1  - Hawkes, KJ
A1  - Clement, ND
A1  - Cavell, KJ
A1  - Yates, BF
Y1  - 2007///
N2  - 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.
PB  - American Chemical Society
JF  - Organometallics
VL  - 26
SN  - 0276-7333
TI  - Atom-efficient catalytic coupling of imidazolium salts with ethylene involving Ni-NHC complexes as intermediates: a combined experimental and DFT study
SP  - 5252
AV  - restricted
EP  - 5363
ER  -