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Regensburg 2025 – wissenschaftliches Programm

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O: Fachverband Oberflächenphysik

O 69: Nanostructures at Surfaces II

O 69.4: Vortrag

Mittwoch, 19. März 2025, 15:45–16:00, H25

On-surface induced fitting and mobility of conformationally flexible molecules inside nanometer-sized quantum confinementsAisha Ahsan1,2, •Aaron Oechsle2,1, Luiza Buimaga-Iarinca3, Lutz H. Gade4, and Thomas A. Jung2,11Department of Physics, University of Basel, 4056 Basel, Switzerland — 2Laboratory for Micro and Nanotechnology, Paul Scherrer Institute, 5232 Villigen, Switzerland — 3CETATEA, National Institute for Research and Development of Isotopic and Molecular Technologies, 400293 Cluj-Napoca, Romania — 4Institute of Inorganic Chemistry, University of Heidelberg, 69120 Heidelberg, Germany

Host-guest architectures provide ideal systems to investigate site-specific physical and chemical effects. Condensation events in nanometer sized confinements are particularly interesting for the investigation of inter-molecular and molecule-surface interactions. They may be accompanied by conformational adjustments representing induced-fit packing patterns. Here, we report that the symmetry of small clusters of cycloalkane molecules, formed by condensation, their registry with the substrate, their structure as well as their adsorption height is characteristically modified by their packing in confinements. While cyclopentane and cycloheptane display cooperativity upon filling of the hosting pores, cyclooctane and to a lesser degree cyclohexane diffusively re-distribute to more favored adsorption sites. The site-specific modification of the interaction and behavior of adsorbates in confinements plays a crucial role in many applications of porous materials, e.g., as gas storage agents or catalysts and biocatalysts.

Keywords: quantum confinements; STM/STS; cycloalkanes; DFT; two-dimensional networks

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