Quantum Chemical Studies of Fluorine-Specific Interactions: Binding Analyses, Advanced Solvent Models, and Spectroscopic Properties.
(C02)
Subject Area
Theoretical Chemistry: Molecules, Materials, Surfaces
Term
since 2019
Project identifier
Deutsche Forschungsgemeinschaft (DFG) - Project number 387284271
In project C2|Kaupp, the nature and strength of Fluorine-Specific interactions as well as their spectroscopic signatures and their influence on important chemical reactions are investigated and quantified using advanced quantum chemical methods. To this end, new methodological developments for treating solvent environments will be implemented and evaluated. Quantum chemical bond analyses, analyses of spectroscopic parameters as well as reaction mechanisms will be used to systematically probe the universal nature of the observed Fluorine-Specific interactions.
DFG Programme
Collaborative Research Centres
