Research on the structure and properties of organometals at the boundary surface of polymers or nanoparticles using novel diffusion and surface layer resolved nmr methods

Project Details


High resolution Magic Angle Spinning (hr-MAS) NMR and Diffusion Ordered SpectroscopY (DOSY) NMR are explored as innovative research and analysis tools in inorganic and metallorganic chemistry.
Hr-MAS NMR enables one to perform advanced structure characterizations of molecules which are grafted to insoluble polymers, directly in situ, at the liquid-material interface, provided the material is swollen up by an appropriate solvent. This provides NMR spectra which are very similar to high resolution spectra obtained in homogeneous solution. Organotin derivatives grafted onto insoluble cross-linked polystyrenes (P-H) of the type (P-H)(1-t)(P-(CH2)nSnBuX2)t and (P-H)(1-2t)([P-(CH2)nSnBuY]2O)t (n = 4, 6; X = Ph, Cl, Br, F; Y = Cl, OH, CH3COO; t = functionalization degree) will be investigated with the purpose to find out to which extent 1H, 13C and 119Sn, 1D or 2D hr-MAS NMR techniques can achieve a breakthrough in the well-known issue of the unsatisfactory structure characterization of such materials, which, as a consequence of their complete insolubility, can only be characterized to a limited extent by a few solid- state analysis methods (CP-MAS NMR, IR, TGA).
DOSY NMR discriminates between molecular structural units in mixtures on the basis of their different translational diffusion rates. In DOSY NMR spectra, differences in diffusion rate constants can be unravelled simultaneously for all structural units in a mixture without need to any preliminary separation of the components. This enables one to detect directly intermolecular interactions between macromolecular structures and substrates in solution. The potential of this class of techniques will be explored in the determination of the diffusion rate constants of the cationic model nanocluster [(BuSn)12O14(OH)6]2+, which interacts with various anions to different extents, as well as of tin- and titaniumn dioxide based nanostructures which are treated with chelating organic ligands in solution in order to design tailored metal oxide particles for applications, using cheap sol-gel processes. In this way it is hoped to get better insight into the chemical mechanisms which determine the formation of such particles, which should lead to optimalization of the associated synthesis processes.
Effective start/end date1/01/0231/12/05


  • Surface and interface chemistry
  • Organometallic compounds
  • Nanoclusters
  • Diffusion ordered NMR Spectroscopy
  • High resolution Magic Angle Spinning NMR
  • Tin and titanium dioxide particles
  • Organotin grafted polystyrenes
  • Solvent swollen cross-linked materials
  • Surfance and interface chemistry
  • Donor-acceptor interactions
  • Structural chemistry
  • DOSY
  • organo-metals

Flemish discipline codes

  • Physical sciences
  • Biological sciences
  • Chemical sciences