RESEARCH AREA II
SOLVENT DESIGN FOR CHEMICAL PROCESSES
Selectivity and yield of chemical reactions are significantly influenced by the choice of solvent. Transcending traditional solvent screening as well as empirical scales based on linear free energy relationships, RESOLV will establish overarching guidelines for designing optimal solvent systems to maximize the efficiency of chemical reactions.
By integrating lab automation and AI-assisted methods with our expertise in synthesis, spectroscopy and computations, we will create predictive models to quantify the impact of the solvent system on chemical processes and reactivities as well as on solubilities in Area III.
Specific targets will be organocatalysis, electrosynthesis, and photoredox catalysis, all of which are pillars of sustainable chemistry and share an extraordinary dependence on the solvent environment. A key goal will be to develop efficient organocatalysts for asymmetric transformations facilitated by our RESOLVscales for binding strengths in solution.
In electrosynthesis, we will design optimal electrolytes, in order to override traditional selectivity orders. RESOLV will craft solvent interactions in the excited state, as in Area I, by capitalizing on insights from Solvation Movies to suppress back reactions in photoredox catalysis, thus maximizing product formation.