X-ray diffraction and DOSY NMR characterization of self-assembled supramolecular metallocyclic species in solution

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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.

Original languageEnglish
Pages (from-to)10731-10738
Number of pages8
JournalJournal of the American Chemical Society
Volume127
Issue number30
DOIs
Publication statusPublished - Aug 3 2005

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Platinum
X-Ray Diffraction
Nuclear magnetic resonance
X ray diffraction
Hydrodynamics
X ray scattering
Diffraction patterns
Distribution functions
X-Rays
Single crystals
Scattering
Experiments

ASJC Scopus subject areas

  • Chemistry(all)

Cite this

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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.",
author = "T. Megyes and Hershel Jude and T. Gr{\'o}sz and I. Bak{\'o} and T. Radn{\'a}i and G. T{\'a}rk{\'a}nyi and G. P{\'a}link{\'a}s and Stang, {Peter J.}",
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T1 - X-ray diffraction and DOSY NMR characterization of self-assembled supramolecular metallocyclic species in solution

AU - Megyes, T.

AU - Jude, Hershel

AU - Grósz, T.

AU - Bakó, I.

AU - Radnái, T.

AU - Tárkányi, G.

AU - Pálinkás, G.

AU - Stang, Peter J.

PY - 2005/8/3

Y1 - 2005/8/3

N2 - 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.

AB - 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.

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