Thermodynamic and Kinetic Comparison of sigma-Hole Catalysts

• Applicant: Professor Dr. Martin Breugst
• Subject Area: Organic Molecular Chemistry - Synthesis and Characterisation
• Term: since 2022
• Project identifier: Deutsche Forschungsgemeinschaft (DFG) - Project number 515770260

This project will advance the field of sigma-hole interactions and their application in organocatalysis. Specifically, we will analyze the strengths of these interactions both in the gas phase (via ion mobility mass spectrometry) as well as in solution (via NMR titrations). We will then correlate this thermodynamic information with kinetic data obtained from different model reactions. In all cases, the experimental investigations will be accompanied by high-level computational investigations to provide additional information on the nature of these interactions and any observed reactivity trends. Therefore, our investigations will –on the one hand– provide deep insights into solvent effects and other crucial aspects of these noncovalent interactions. On the other hand, the kinetic analysis incombination with the thermodynamic parameters will enhance our understanding of sigma-hole catalysis.

• DFG Programme: Research Grants