Dresden 2026 – wissenschaftliches Programm
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CPP: Fachverband Chemische Physik und Polymerphysik
CPP 46: Poster II
CPP 46.42: Poster
Donnerstag, 12. März 2026, 09:30–11:30, P5
Structural Insights into Supported Ionic Liquid Phases — •Yufei Wu1, Julius Schlüter2, Chandan K. Das3, Zhuo Chen1, Alexis Bordet1, Maria Fyta3, and Thomas Wiegand1,2 — 1Max Planck Institute for Chemical Energy Conversion, Mulheim an der Ruhr, Germany — 2Institute of Technical and Macromolecular Chemistry, RWTH Aachen University, Aachen, Germany — 3Computational Biotechnology, RWTH Aachen University, Aachen, Germany
Metal nanoparticles supported on molecularly modified surfaces (MMSs) offer significant potential for the development of advanced materials chemistry, particularly in catalysis. In this work, we focus on supported ionic liquid phases (SILPs) as a representative class of MMS materials. The SILP material was synthesized by functionalizing an amorphous silica surface with a layer of phosphonium-based ionic liquid (IL) covalently bound to the silica. The structural features of the SILP, specifically the conformation of the phosphonium IL cations, were characterized using magic-angle spinning (MAS) solid-state NMR spectroscopy. To complement the experimental findings, all-atom molecular dynamics (MD) simulations were performed on IL-modified silica surfaces. These simulations provided atomic-level insights into the structural organization and conformational dynamics of the IL molecules in the SILP materials. This combined approach paves the groundwork for future studies aimed at realizing SILP materials as efficient catalytic templates.
Keywords: Molecularly modified surfaces; Supported ionic liquid phases; Ionic liquid; Solid-state NMR; Molecular dynamics simulations