Exploring the Molecular Structure of Imidazolium-Silica-Based Nanoparticle Networks by Combining Solid-State NMR Spectroscopy and First-Principles Calculations

• Published in: Chemistry : a European journal Vol. 20; no. 46; pp. 15188 - 15196
• Main Authors: Neouze, Marie-Alexandra, Kronstein, Martin, Litschauer, Marco, Puchberger, Michael, Coelho, Cristina, Bonhomme, Christian, Gervais, Christel, Tielens, Frederik
• Format: Journal Article
• Language: English
• Published: Weinheim WILEY-VCH Verlag 10.11.2014; WILEY‐VCH Verlag; Wiley Subscription Services, Inc; Wiley-VCH Verlag
• Subjects: Chemical Sciences; Chemistry; Density; density functional calculations; Inns; luminescence; Material chemistry; Mathematical models; Molecular structure; Nanoparticles; Nanostructure; Networks; NMR; NMR spectroscopy; Nuclear magnetic resonance; Principles; Sourcing; surface chemistry; density functional calculations; luminescence; nanoparticles; surface chemistry; NMR spectroscopy

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. 11B and 31P HETCOR CP MAS experiments were recorded....