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Updated: Dec 30, 2025
Imine Metathesis by Silica-Supported Catalysts Using the Methodology of Surface Organometallic Chemistry
Published on: October 18, 2019
Exploring the molecular structure of imidazolium-silica-based nanoparticle networks by combining solid-state NMR
Marie-Alexandra Neouze1, Martin Kronstein, Marco Litschauer
1Vienna University of Technology, Institute of Materials Chemistry, 1060 Vienna (Austria); Physics of Condensed Matter (PMC), Ecole Polytechnique, 91128 Palaiseau (France). marie-alexandra.neouze@polytechnique.edu.
Abstract:
A DFT-based molecular model for imidazolium-silica-based nanoparticle networks (INNs) is presented. The INNs were synthesized and characterized by using small-angle X-ray scattering (SAXS), NMR spectroscopy, and theoretical ab initio calculations. (11)B and (31)P HETCOR CP MAS experiments were recorded. Calculated (19)F NMR spectroscopy results, combined with the calculated anion-imidazolium (IM) distances, predicted the IM chain density in the INN, which was also confirmed from thermogravimetric analysis/mass spectrometry results. The presence of water molecules trapped between the nanoparticles is also suggested. First considerations on possible π-π stacking between the IM rings are presented. The predicted electronic properties confirm the photoluminescence emissions in the correct spectral domain.
