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@article{Britovsek:2016:10.1039/c6cy02112c,
author = {Britovsek, GJP and McGuinness, DS and Tomov, AK},
doi = {10.1039/c6cy02112c},
journal = {Catalysis Science and Technology},
pages = {8234--8241},
title = {Mechanistic study of ethylene tri- and tetramerisation with Cr/PNP catalysts: effects of additional donors},
url = {http://dx.doi.org/10.1039/c6cy02112c},
volume = {6},
year = {2016}
}

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TY  - JOUR
AB  - 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 etherdonor (ortho-methoxyaryl ligand substitution) and of anion coordination to the active species have beenstudied. In the former case, coordination of the ether donor to chromium favours 1-hexene by suppressingformation of the bisethylene) chromacyclopentane intermediate which is postulated to be the major routeto 1-octene. The effect of anion coordination is similar and as the coordination strength increases, displacementof the anion by a second ethylene ligand becomes more difficult, again favouring trimerisationover tetramerisation. Hence, the experimentally observed effects of pendant donor coordination andchanges in anion coordination strength can be rationalised.
AU  - Britovsek,GJP
AU  - McGuinness,DS
AU  - Tomov,AK
DO  - 10.1039/c6cy02112c
EP  - 8241
PY  - 2016///
SN  - 2044-4753
SP  - 8234
TI  - Mechanistic study of ethylene tri- and tetramerisation with Cr/PNP catalysts: effects of additional donors
T2  - Catalysis Science and Technology
UR  - http://dx.doi.org/10.1039/c6cy02112c
UR  - http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000389224400005&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=1ba7043ffcc86c417c072aa74d649202
UR  - http://hdl.handle.net/10044/1/49637
VL  - 6
ER  -

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