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Repositorio de la Universidad de Oviedo > Producción Bibliográfica de UniOvi: RECOPILA > Artículos >

Use este identificador para citar o enlazar este ítem: http://hdl.handle.net/10651/9102

Título : 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
Autor(es) y otros: Karabiyik, Hasan
Kilincarslan, Rafet
Aygün, Muhittin
Cetinkaya, Bekir
García-Granda, Santiago
Palabras clave: Half-Sandwich Complex
Ortho-Metallation
Co-Crystallization
Non-Merohedral Twin
Dft-B3lyp/Lanl2dz
Asymmetric Synthons
Fecha de publicación : 2008
Versión del editor: http://dx.doi.org/10.1016/j.solidstatesciences.2007.08.011
Citación : Solid State Sciences, 10(1), p. 104-113 (2008); doi:10.1016/j.solidstatesciences.2007.08.011
Descripción física: p. 104-113
Resumen : 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 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.
URI : http://hdl.handle.net/10651/9102
ISSN : 1293-2558
Otros identificadores: 1160
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