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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

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dc.contributor.author Karabiyik, H.
dc.contributor.author Kilinçarslan, R.
dc.contributor.author Aygün, M.
dc.contributor.author Çetinkaya, B.
dc.contributor.author García-Granda, S.
dc.date.accessioned 2019-08-16T12:19:55Z
dc.date.available 2019-08-16T12:19:55Z
dc.date.issued 2008
dc.identifier.issn 12932558 (ISSN)
dc.identifier.uri http://acikerisim.pau.edu.tr:8080/xmlui/handle/11499/7327
dc.description.abstract The 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 {A figure is presented}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. © 2007 Elsevier Masson SAS. All rights reserved.
dc.language.iso English
dc.relation.isversionof 10.1016/j.solidstatesciences.2007.08.011
dc.subject Asymmetric synthons
dc.subject Co-crystallization
dc.subject DFT-B3LYP/LanL2DZ
dc.subject Half-sandwich complex
dc.subject Non-merohedral twin
dc.subject ortho-Metallation
dc.subject Ruthenacycle
dc.subject Computational complexity
dc.subject Crystallization
dc.subject Dimers
dc.subject Enantiomers
dc.subject Nuclear magnetic resonance spectroscopy
dc.subject Solid state reactions
dc.subject Synthesis (chemical)
dc.subject X ray crystallography
dc.subject Cocrystallization
dc.subject Half sandwich complex structures
dc.subject Non merohedral twins
dc.subject Orthometallation
dc.subject Ruthenacycles
dc.subject Weak hydrogen bonds
dc.subject Ruthenium compounds
dc.title 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.type Article
dc.relation.journal Solid State Sciences
dc.identifier.volume 10
dc.identifier.issue 1
dc.identifier.startpage 104
dc.identifier.endpage 113
dc.identifier.index Scopus


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