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@article{Tay:2020:10.1021/acscatal.9b03007,
author = {Tay, DWP and Nobbs, JD and Romain, C and White, AJP and Aitipamula, S and van, Meurs M and Britovsek, GJP},
doi = {10.1021/acscatal.9b03007},
journal = {ACS Catalysis},
pages = {663--671},
title = {gem-dialkyl effect in diphosphine Ligands: synthesis, coordination behavior, and application in Pd-catalyzed hydroformylation},
url = {http://dx.doi.org/10.1021/acscatal.9b03007},
volume = {10},
year = {2020}
}

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TY  - JOUR
AB  - A series of palladium complexes with C3-bridged bidentate bis(diphenylphosphino)propane ligands with substituents of varying steric bulk at the central carbon have been synthesized. The size of the gem-dialkyl substituents affects the C–C–C bond angles within the ligands and consequently the P–M–P ligand bite angles. A combination of solid-state X-ray diffraction (XRD) and density functional theory (DFT) studies has shown that an increase in substituent size results in a distortion of the 6-membered metal–ligand chair conformation toward a boat conformation, to avoid bond angle strain. The influence of the gem-dialkyl effect on the catalytic performance of the complexes in palladium-catalyzed hydroformylation of 1-octene has been investigated. While hydroformylation activity to nonanal decreases with increasing size of the gem-dialkyl substituents, a change in chemoselectivity toward nonanol via reductive hydroformylation is observed.
AU  - Tay,DWP
AU  - Nobbs,JD
AU  - Romain,C
AU  - White,AJP
AU  - Aitipamula,S
AU  - van,Meurs M
AU  - Britovsek,GJP
DO  - 10.1021/acscatal.9b03007
EP  - 671
PY  - 2020///
SN  - 2155-5435
SP  - 663
TI  - gem-dialkyl effect in diphosphine Ligands: synthesis, coordination behavior, and application in Pd-catalyzed hydroformylation
T2  - ACS Catalysis
UR  - http://dx.doi.org/10.1021/acscatal.9b03007
UR  - http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000506725100071&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=1ba7043ffcc86c417c072aa74d649202
UR  - https://pubs.acs.org/doi/10.1021/acscatal.9b03007
UR  - http://hdl.handle.net/10044/1/77358
VL  - 10
ER  -

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