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The 1 : 1 co-crystallization of enantiomers of an arene-tethered and ortho-metallated N-heterocyclic carbene ruthenium(II) half-sandwich complex: Synthesis, structural characterization and theoretical study

dc.contributor.authorKarabiyik, Hasan
dc.contributor.authorKilincarslan, Rafet
dc.contributor.authorAygün, Muhittin
dc.contributor.authorCetinkaya, Bekir
dc.contributor.authorGarcía-Granda, Santiago 
dc.date.accessioned2013-01-30T10:11:35Z
dc.date.available2013-01-30T10:11:35Z
dc.date.issued2008
dc.identifier.citationSolid State Sciences, 10(1), p. 104-113 (2008); doi:10.1016/j.solidstatesciences.2007.08.011eng
dc.identifier.issn1293-2558
dc.identifier.other1160spa
dc.identifier.urihttp://hdl.handle.net/10651/9102
dc.description.abstractThe reaction of [RuCl2(p-cymene)]2 with in situ deprotonated NHC precursor 1,3-bis(biphenyl-2-yl)imidazolinium chloride was carried out in p-xylene at 140 °C to produce 2, in which the NHC moiety acts as a tridentate C,C′,C′′-ligand. The complex 2 was characterized by NMR spectroscopy and X-ray crystallographic study. Crystallographic analysis combined with computational study regarding the compound, 1-[η6-(2′-biphenyl)]-3-[2-phenyl-1,2-phenylene]imidazolidin-2-ylidenechlororuthenium(II), 2, reveals that its metal-centered enantiomers are co-crystallized in 1:1 ratio and NHC frame possessing a tridentate coordination mode consists of σ-donation of the carbene carbon, η6-arene tethering of terminal biaryl and η1-coordination of the biphenyl ring at 2-position. Enantiomers of the complex are packed as asymmetric dimers in solid state formed by C–H⋯Cl type weak H-bonds and C–H⋯π type interactions giving rise to asymmetric chains. Both interactions serve to stabilization of the extended structure.eng
dc.format.extentp. 104-113spa
dc.language.isoeng
dc.relation.ispartofSolid State Sciencesspa
dc.rights© 2007 Elsevier Masson SAS
dc.sourceWOKspa
dc.subjectHalf-Sandwich Complexeng
dc.subjectOrtho-Metallationeng
dc.subjectCo-Crystallizationeng
dc.subjectNon-Merohedral Twineng
dc.subjectDft-B3lyp/Lanl2dzeng
dc.subjectAsymmetric Synthonseng
dc.titleThe 1 : 1 co-crystallization of enantiomers of an arene-tethered and ortho-metallated N-heterocyclic carbene ruthenium(II) half-sandwich complex: Synthesis, structural characterization and theoretical studyeng
dc.typeinfo:eu-repo/semantics/article
dc.identifier.doi10.1016/j.solidstatesciences.2007.08.011
dc.type.dcmitextspa
dc.relation.publisherversionhttp://dx.doi.org/10.1016/j.solidstatesciences.2007.08.011spa


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