Mechanistic study of ethylene tri- and tetramerisation with Cr/PNP catalysts: effects of additional donors

File Description SizeFormat 
manuscript_revised.docxAccepted version576.06 kBMicrosoft WordView/Open
Title: Mechanistic study of ethylene tri- and tetramerisation with Cr/PNP catalysts: effects of additional donors
Authors: Britovsek, GJP
McGuinness, DS
Tomov, AK
Item Type: Journal Article
Abstract: The mechanism of ethylene trimerisation and tetramerisation with chromium–diphosphinoamine (Cr–PNP) catalysts has been studied by experimental and theoretical (DFT) methods. The effects of a pendant ether donor (ortho-methoxyaryl ligand substitution) and of anion coordination to the active species have been studied. In the former case, coordination of the ether donor to chromium favours 1-hexene by suppressing formation of the bisIJethylene) chromacyclopentane intermediate which is postulated to be the major route to 1-octene. The effect of anion coordination is similar and as the coordination strength increases, displacement of the anion by a second ethylene ligand becomes more difficult, again favouring trimerisation over tetramerisation. Hence, the experimentally observed effects of pendant donor coordination and changes in anion coordination strength can be rationalised.
Issue Date: 28-Oct-2016
Date of Acceptance: 27-Oct-2016
URI: http://hdl.handle.net/10044/1/49637
DOI: https://dx.doi.org/10.1039/c6cy02112c
ISSN: 2044-4753
Publisher: Royal Society of Chemistry
Start Page: 8234
End Page: 8241
Journal / Book Title: Catalysis Science and Technology
Volume: 6
Issue: 23
Copyright Statement: © 2016 The Royal Society of Chemistry.
Keywords: Science & Technology
Physical Sciences
Chemistry, Physical
Chemistry
ZETA-VALENCE QUALITY
TRIMERIZATION CATALYSTS
CHROMIUM N,N-BIS(DIARYLPHOSPHINO)AMINE
DIPHOSPHINOAMINE LIGANDS
ETHENE TRIMERIZATION
PNP CATALYSTS
BASIS-SETS
OLIGOMERIZATION
COMPLEXES
OLEFIN
Publication Status: Published
Appears in Collections:Chemistry
Catalysis and Advanced Materials
Faculty of Natural Sciences



Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.

Creative Commonsx