@article{epprod3798, volume = {26}, number = {22}, month = {["lib/utils:month\verb1_13798" not defined]}, author = {AT Normand and KJ Hawkes and ND Clement and KJ Cavell and BF Yates}, note = {Copyright \copyright 2007 American Chemical Society.}, title = {Atom-efficient catalytic coupling of imidazolium salts with ethylene involving Ni-NHC complexes as intermediates: a combined experimental and DFT study}, publisher = {American Chemical Society}, year = {2007}, journal = {Organometallics}, pages = {5252--5363}, url = {http://eprints.utas.edu.au/3798/}, 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.} }