Regensburg 2022 – scientific programme

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O: Fachverband Oberflächenphysik

O 45: Focus Session: Catalysis at Liquid Interfaces

O 45.6: Topical Talk

Wednesday, September 7, 2022, 16:45–17:15, H4

Ionic liquids and deep eutectic solvents - sustainable media for selective molecular recognition and adsorption — •Jan Blasius, Leonard Dick, and Barbara Kirchner — Mulliken Center for Theoretical Chemistry, University of Bonn, Beringstrasse 4+6, D-53115 Bonn, Germany

The effective reduction of CO2 emission and chemical waste production are key disciplines on our way towards a more sustainable future. Ionic liquids (ILs) and deep eutectic solvents (DESs) offer new opportunities for addressing these challenges, as their properties can be adjusted in order to fulfill specific purposes. To efficiently optimize their usage for various applications, it is vital to understand the underlying molecular behavior and inherent structuring inside these liquids. Using state-of-the-art theoretical methods, we shed light on molecular adsorption and recognition mechanisms in ILs and DESs. This enables us to determine the reasons for specific capacities and allows a theoretical design of solvents with precisely tuned geometric, energetic and kinetic parameters in order to enhance the processes of interest. In this presentation, we will highlight our most recent research concerning molecular recognition and adsorption in ILs and DESs which can support the development of novel chemical processes that pave our way towards a more sustainable future.