Deep Eutectic Solvents: Solvent, water, and first steps of reactions involving biomass

• Applicant: Professorin Dr. Barbara Kirchner
• Subject Area: Theoretical Chemistry: Electronic Structure, Dynamics, Simulation ; Organic Molecular Chemistry - Synthesis and Characterisation ; Physical Chemistry of Molecules, Liquids and Interfaces, Biophysical Chemistry
• Term: from 2018 to 2024
• Project identifier: Deutsche Forschungsgemeinschaft (DFG) - Project number 406232243

Gaining a fundamental understanding about how deep eutectic solvents (DES) media work is key to improve and tailor their properties, but this knowledge is severely lacking. This project aims to improve the present level of understanding. The three milestones of this project will be, understanding 1.) the building principles of DES, 2.) the interplay between DES and water and 3.) catalyzed organic reactions involving biomass products, mainly the conversion of pentoses and hexoses to furanic derivatives, which show excellent yield in DES. This shall be tackled by modeling specific examples of DESs, their water mixtures as well as systems including specific points along the reaction surface. These examples (with normal and inverse set up) are specifically chosen to allow gaining insight into the working principles of DESs.

• DFG Programme: Research Grants