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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 Yates
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 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

Organometallics

Volume

26

Issue

22

Pagination

5252-5363

ISSN

0276-7333

Department/School

School of Natural Sciences

Publisher

American Chemical Society

Place of publication

Washington

Repository Status

  • Restricted

Socio-economic Objectives

Expanding knowledge in the chemical sciences

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