Design and Synthesis of Chiral Ligands and Catalysts
Chiral ligands and associated catalysts are exceptional tools for inducing stereodivergent interactions between achiral molecules. These essential interactions result from the geometrical arrangement of a chiral pocket modeled by a chiral ligand surrounding the central metal atom. Any alteration in ligand architecture is reflected in the overall stereoelectronic nature of the chiral catalyst. Based on the DFT calculations, we are designing more efficient approaches to these ligands/catalysts circumventing current synthetic limitations while allowing a high degree of molecular decoration.
Chiral Photosensitive Organocatalysts
Within this project, we are interested in the design of bifunctional chiral photoactive organocatalysts. By connecting photoactive chemical units with chiral BINOL-acids and their derivatives, we are aiming toward catalysts having a dual role: i) photochemical activation of a specific substrate and ii) formation of a chiral complex with the substrate, resulting in a stereoselective outcome. This area of stereoselective organocatalysis is poorly researched, providing the opportunity to prepare and apply bifunctional organocatalysts capable of inducing complex chemical processes.
Non-Covalent Interaction in Organic Synthesis
Our group is also interested in exploring non-covalent interactions as a driving force for induced selective reactivity. The main idea is that the formation of a non-covalent interaction can induce electron density perturbation that affects the overall reactivity of a given model substrate. At the intersection of computational chemistry and simple synthetic organic chemistry, we are aiming to develop a transferable system applicable to multifunctional substrates.
