title: X-ray diffraction and DOSY NMR characterization of self-assembled supramolecular metallocyclic species in solution.
abstract: Wide-angle X-ray scattering and diffusion NMR techniques have been used to obtain structural information on three self-assembled metallacyclic supramolecular complexes in solution: a rectangle, a triangle, and a three-diminsional cage. The low-angle region of the measured diffraction patterns and hydrodynamic radii calculations, determined from DOSY NMR experiments, suggest that the supramolecular assemblies retain their shape when dissolved in nitromethane. The experimental structure functions for the large-angle region have been analyzed, and the intramolecular contributions of the platinum-platinum interactions are discussed. These scattering measurements provide evidence that the supramolecular assemblies are not as rigid in solution as they are in the single crystal. Finally, by analysis of the radial distribution functions of the solutions, direct structural information (e.g., platinum-platinum intramolecular distances and coordination number) about the supramolecular assemblies has been obtained.
authors.affiliation: Institute of Structural Chemistry, Chemical Research Center, Hungarian Academy of Sciences, P.O. Box 17, Budapest H-1525, Hungary.
authors.forename: Tünde
authors.initials: T
authors.lastname: Megyes
authors.forename: Hershel
authors.initials: H
authors.lastname: Jude
authors.forename: Tamás
authors.initials: T
authors.lastname: Grósz
authors.forename: Imre
authors.initials: I
authors.lastname: Bakó
authors.forename: Tamás
authors.initials: T
authors.lastname: Radnai
authors.forename: Gábor
authors.initials: G
authors.lastname: Tárkányi
authors.forename: Gábor
authors.initials: G
authors.lastname: Pálinkás
authors.forename: Peter J
authors.initials: PJ
authors.lastname: Stang
mesh_terms: D009682:Magnetic Resonance Spectroscopy / Q000379:methods*; D008958:Models, Molecular; D009944:Organoplatinum Compounds / Q000737:chemistry*; D010984:Platinum / Q000737:chemistry*; D012996:Solutions; D014961:X-Ray Diffraction / Q000379:methods*
chemical_list: D009944:Organoplatinum Compounds; D012996:Solutions; D010984:Platinum