Novel Intramolecular C-Aryl-S Bond Activation by an Electron Rich, Ring-Expanded-NHC-Rh centre: A Combined Experimental and DFT Study

Binobaid, Abeer Abdulrahman, Cavell, Kingsley, Nechaev, M. S. and Kariuki, Benson ORCID: https://orcid.org/0000-0002-8658-3897 2011. Novel Intramolecular C-Aryl-S Bond Activation by an Electron Rich, Ring-Expanded-NHC-Rh centre: A Combined Experimental and DFT Study. Australian Journal of Chemistry 64 (8) , pp. 1141-1147. 10.1071/CH11243

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Abstract

The reaction of (o-MeSPh)-N-functionalized tetrahydropyrimidinium salts with KN(SiMe3)2 and [Rh(COD)Cl]2 in THF leads to the formation of a novel dimeric RhIII bis-carbene complex. The reaction involves the unexpected cleavage/oxidative addition of the aryl-sulfur bond to give dimeric metallated RhIII with bridging MeS< moieties. This unusual reaction is probably a consequence of the sterically imposing structure and strong donor capacity of ring-expanded N-heterocyclic carbenes (RE-NHCs). An X-ray structure of the [(Ph,DIPP-NHC)Rh(Cl)(SMe)2] product complex has been obtained, and DFT studies were undertaken to gain an insight into the reaction pathway.

Item Type:	Article
Date Type:	Publication
Status:	Published
Schools:	Research Institutes & Centres > Cardiff Catalysis Institute (CCI) Schools > Chemistry
Subjects:	Q Science > QD Chemistry
Publisher:	CSIRO Publishing
ISSN:	0004-9425
Last Modified:	18 Oct 2022 13:11
URI:	https://orca.cardiff.ac.uk/id/eprint/12857

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