A first structural and theoretical comparison of pyridinylidene-type rNHC (remote N-heterocyclic carbene) and NHC complexes of Ni(II) obtained by oxidative substitution

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dc.contributor.authorSchneider S.K.
dc.contributor.authorJulius G.R.
dc.contributor.authorLoschen C.
dc.contributor.authorRaubenheimer H.G.
dc.contributor.authorFrenking G.
dc.contributor.authorHerrmann W.A.
dc.date.accessioned2011-05-15T15:59:06Z
dc.date.available2011-05-15T15:59:06Z
dc.date.issued2006
dc.description.abstractA series of cationic pyridinylidene and quinolinylidene complexes of chlorobis(triphenylphosphine)nickel(ii) were prepared by oxidative substitution of Ni(PPh3)4 with methylated chloropyridines or chloroquinolines. NMR as well as X-ray crystallographic studies confirmed the trans arrangement of the two phosphines in the products. Calculations, using suitable model compounds at the BP86/TZVP level, clearly differentiate between a standard imidazolylidene complex and new complexes of the NHC-type on the one hand, and new complexes classified as rNHC-types - with the heteroatom distant from the carbene carbon - on the other. The latter form significantly stronger bonds - mainly of an electrostatic nature - with the metal. © The Royal Society of Chemistry 2006.
dc.description.versionArticle
dc.identifier.citationDalton Transactions
dc.identifier.citation6
dc.identifier.citation9
dc.identifier.issn14779226
dc.identifier.other10.1039/b512419k
dc.identifier.urihttp://hdl.handle.net/10019.1/11007
dc.subjectChemical bonds
dc.subjectNuclear magnetic resonance
dc.subjectPhosphorus compounds
dc.subjectSubstitution reactions
dc.subjectX ray crystallography
dc.subjectCarbene carbon
dc.subjectChloroquinolines
dc.subjectOxidative substitution
dc.subjectPyridinylidene-type rNHC (remote N-heterocyclic carbene)
dc.subjectNitrogen compounds
dc.titleA first structural and theoretical comparison of pyridinylidene-type rNHC (remote N-heterocyclic carbene) and NHC complexes of Ni(II) obtained by oxidative substitution
dc.typeArticle
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