Please use this identifier to cite or link to this item: https://doi.org/10.1002/ejic.201300334
Title: A PdII complex bearing a benzimidazole-derived ligand with potentially "mesoionic and remote" character and its catalytic activity
Authors: Huynh, H.V. 
Ong, H.L.
Bernhammer, J.C.
Frison, G.
Keywords: Carbene ligands
Cross-coupling
Density functional calculations
Mesoionic compounds
Palladium
Issue Date: Sep-2013
Citation: Huynh, H.V., Ong, H.L., Bernhammer, J.C., Frison, G. (2013-09). A PdII complex bearing a benzimidazole-derived ligand with potentially "mesoionic and remote" character and its catalytic activity. European Journal of Inorganic Chemistry (26) : 4654-4661. ScholarBank@NUS Repository. https://doi.org/10.1002/ejic.201300334
Abstract: The oxidative addition of palladium(0) to the C2-protected 5-bromo-2-methylbenzimidazolium tetrafluoroborate 3 affords the complex trans-[PdBr(bimy)(PPh3)2]BF4 (4), which is the first complex of an unprecedented benzimidazole-derived ligand (bimy) with a potentially "mesoionic and remote" character. DFT calculations revealed that the bimy ligand bridges the gap between the mesoionic pyrazolin-4-ylidene and the anionic phenyl ligand. A preliminary catalytic study revealed the promising activity of 4 in the Sonogashira coupling of aryl bromides with phenylacetylene. The oxidative addition of Pd0 to a C2-protected 5-bromobenzimidazolium salt affords a complex of an unprecedented and formally neutral benzimidazole-derived ligand (bimy). DFT calculations indicate that the bimy ligand bridges the gap between neutral mesoionic and anionic aryl ligands. The catalytic activity of the complex in the Sonogashira reaction has been studied. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Source Title: European Journal of Inorganic Chemistry
URI: http://scholarbank.nus.edu.sg/handle/10635/92987
ISSN: 14341948
DOI: 10.1002/ejic.201300334
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