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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
journal contribution
posted on 2023-05-16, 21:23 authored by Normand, AT, Kirsty HawkesKirsty Hawkes, Clement, ND, Cavell, KJ, Brian YatesBrian YatesThe 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 Ni-carbene 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. © 2007 American Chemical Society.
History
Publication title
OrganometallicsVolume
26Issue
22Pagination
5252-5363ISSN
0276-7333Department/School
School of Natural SciencesPublisher
American Chemical SocietyPlace of publication
WashingtonRepository Status
- Restricted