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@article{Lo:2022:10.1039/d2cy00550f,
author = {Lo, Q and Pye, D and Gesslbauer, S and Sim, Y and Garcia, F and White, AJP and Britovsek, GJP},
doi = {10.1039/d2cy00550f},
journal = {CATALYSIS SCIENCE & TECHNOLOGY},
pages = {4544--4551},
title = {Single- and double-bridged PNP ligands in chromium-catalysed ethylene oligomerisation},
url = {http://dx.doi.org/10.1039/d2cy00550f},
volume = {12},
year = {2022}
}

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TY  - JOUR
AB  - Several PNP-type diphosphine ligands have been synthesised and characterised, featuring a single or a double N-bridge between the P-donor atoms. PNP ligands 1 and 2 containing diazaphospholane donors have been prepared and reaction with [CrCl3(thf)3] results in coordination in a bidentate fashion to give dinuclear complexes [(1)CrCl3]2 and [(2)CrCl3]2 which have been characterised by scXRD analysis. In situ prepared catalysts using ligands 1 and 2 provide good activities and selectivities for the tri- and tetramerisation of ethylene reaching 35% 1-hexene and 61% 1-octene at 5400 g g−1 per Cr per h in the case of 1, and 42% 1-hexene and 55% 1-octene at 17000 g g−1 (Cr) h−1 in the case of 2, comparable to standard iPrN(PPh2)2-type ligands under similar conditions. Chromium-catalysed ethylene oligomerisations with a doubly N-bridged cyclodiphosphazane ligand (4) result in a Schulz–Flory distribution of α-olefins with relatively low α values of 0.42 and 0.52. Computational studies using DFT on mononuclear chromium complexes of ligands 1 and 2 have shown that the binding of ethylene is favoured in these complexes compared to the benchmark PNP ligand iPrN(PPh2)2 and that the oligomerisation mechanism involves both single and double ethylene insertions.
AU  - Lo,Q
AU  - Pye,D
AU  - Gesslbauer,S
AU  - Sim,Y
AU  - Garcia,F
AU  - White,AJP
AU  - Britovsek,GJP
DO  - 10.1039/d2cy00550f
EP  - 4551
PY  - 2022///
SN  - 2044-4753
SP  - 4544
TI  - Single- and double-bridged PNP ligands in chromium-catalysed ethylene oligomerisation
T2  - CATALYSIS SCIENCE & TECHNOLOGY
UR  - http://dx.doi.org/10.1039/d2cy00550f
UR  - https://www.webofscience.com/api/gateway?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000807381600001&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=a2bf6146997ec60c407a63945d4e92bb
UR  - https://pubs.rsc.org/en/content/articlelanding/2022/CY/D2CY00550F
UR  - http://hdl.handle.net/10044/1/100960
VL  - 12
ER  -

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