Please use this identifier to cite or link to this item: https://doi.org/10.1021/om100241v
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dc.titleSynthesis of cis - and trans-diisothiocyanato-bis(NHC) complexes of nickel(II) and applications in the Kumada-Corriu reaction
dc.contributor.authorJothibasu, R.
dc.contributor.authorHuang, K.-W.
dc.contributor.authorHuynh, H.V.
dc.date.accessioned2014-10-16T08:44:02Z
dc.date.available2014-10-16T08:44:02Z
dc.date.issued2010-09-13
dc.identifier.citationJothibasu, R., Huang, K.-W., Huynh, H.V. (2010-09-13). Synthesis of cis - and trans-diisothiocyanato-bis(NHC) complexes of nickel(II) and applications in the Kumada-Corriu reaction. Organometallics 29 (17) : 3746-3752. ScholarBank@NUS Repository. https://doi.org/10.1021/om100241v
dc.identifier.issn02767333
dc.identifier.urihttp://scholarbank.nus.edu.sg/handle/10635/95117
dc.description.abstractMetathetical reaction of AgSCN with a series of trans-dihalido-bis(carbene) nickel(II) complexes in CH3CN readily afforded the novel diisothiocyanato-bis(carbene) complexes [Ni(NCS)2(NHC)2] (trans-2a, NHC = 1,3-diisopropylbenzimidazolin-2-ylidene; trans-2b, NHC = 1,3-diisobutylbenzimidazolin-2-ylidene; trans-2c, NHC = 1,3- dibenzylbenzimidazolin-2-ylidene; cis-2d, NHC = 1,3-di(2-propenyl) benzimidazolin-2-ylidene; cis-2e, NHC = 1-propyl-3-methylbenzimidazolin-2- ylidene) as greenish-yellow powders in moderate to good yields. While dihalido-bis(carbene) Ni(II) complexes exclusively form trans-complexes, a trans-cis isomerization occurs upon halido-isothiocyanato exchange with complexes bearing less bulky carbene ligands, i.e., cis-2d/e. DFT calculations indicated that this isomerization can be attributed to a reduced energy difference between trans- and cis-isomers of diisothiocyanato complexes. All complexes have been characterized by multinuclear NMR spectroscopy, ESI mass spectrometry, and X-ray diffraction analysis. A catalytic study revealed that cis-complexes generally exhibit greater activities in the Kumada-Corriu coupling reaction. © 2010 American Chemical Society.
dc.description.urihttp://libproxy1.nus.edu.sg/login?url=http://dx.doi.org/10.1021/om100241v
dc.sourceScopus
dc.typeArticle
dc.contributor.departmentPHARMACY
dc.contributor.departmentCHEMISTRY
dc.description.doi10.1021/om100241v
dc.description.sourcetitleOrganometallics
dc.description.volume29
dc.description.issue17
dc.description.page3746-3752
dc.description.codenORGND
dc.identifier.isiut000281472500009
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