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Issue 23, 2016
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Mechanistic study of ethylene tri- and tetramerisation with Cr/PNP catalysts: effects of additional donors

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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 bis(ethylene) 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.

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

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Article information


Submitted
06 Oct 2016
Accepted
27 Oct 2016
First published
28 Oct 2016

Catal. Sci. Technol., 2016,6, 8234-8241
Article type
Paper

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

G. J. P. Britovsek, D. S. McGuinness and A. K. Tomov, Catal. Sci. Technol., 2016, 6, 8234
DOI: 10.1039/C6CY02112C

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