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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.description.sponsorshipThe authors thank TÜBİTAK (The Scientific and Technical Research Council of Turkey) and Dokuz Eylül University Research Fund (respective project numbers: 105T372 and 04.KB.FEN.100) for financial support of this work. In addition, financial support from Spanish Ministerio de Educacion y Ciencia (MAT2006-01997 and ‘Factoría de Cristalizacíon’ Consolider Ingenio 2010) is acknowledged.
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.typejournal article
dc.identifier.doi10.1016/j.solidstatesciences.2007.08.011
dc.relation.projectIDMAT2006-01997
dc.relation.publisherversionhttp://dx.doi.org/10.1016/j.solidstatesciences.2007.08.011spa


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