ERC Fundamentals of AsymmeTric Organo CATalysis (FASTO-CAT)

ERC Fundamentals of AsymmeTric Organo CATalysis (FASTO-CAT)

Asymmetric organo-catalysis represents a metal-free alternative to conventional asymmetric transition metal catalysis. These organo-catalysts emerged only in the recent decades and can provide high stereoselectivity. Therefore, they are particularly suited for the synthesis of biologically relevant molecules, where chirality is important for various functions, e.g. for the pharmaceutical activity of drugs. Despite the success of these organo-chemical routes, remarkably little is known about the reactive intermediates in a realistic environment. Since these intermediates, however, induce chirality in the first place, we experimentally quantify such reactive intermediates, and analyse their nature and geometry.

We study reactive intermediates using a combination of different spectroscopic methods: With ultrafast two-color and two-dimensional infrared spectroscopy we detect molecular vibrations, in order to trace changes in the molecules’ environment in real-time. By means of dielectric and NMR spectroscopy he investigate the electronic structure and binding motifs between the catalyst and the substrate. This combination of techniques thus allows probing molecular interactions on all timescales relevant to catalytic processes ranging from femtoseconds to seconds. Correlating the thus obtained information with the enantiomeric excess obtained in catalytic processes allows identifying the key elements that are required for stereocontrol. Such molecular-level insights will provide fundamental parameters for the optimization of reaction conditions and routes towards novel catalytic routes.

Optimizing catalysis as well as predicting new catalytic routes opens different fields of application for the asymmetric organo-catalysis. For example in medicine, one example may be a more efficient and targeted production of antimalarial medication.

Related Publications

October 2022
Our paper on Elucidating Conformation and Hydrogen-Bonding Motifs of Reactive Thiourea Intermediates has been published in ACS Catalysis. more
August 2022
A collaborative paper on The dielectric function profile across the water interface through surface-specific vibrational spectroscopy and simulations has been published in PNAS. more
July 2022
Our paper on Ion-pairing equilibria and kinetics of dimethyl phosphate: A model for counter-ion binding to the phosphate backbone of nucleic acids has been published in J Mol Liq. more
April 2022
Our paper showing that A single methyl group drastically changes urea’s hydration dynamics has been published in J Chem Phys. more
February 2021
Our paper on Association Equilibria of Organo-Phosphoric Acids with Imines from a Combined Dielectric and Nuclear Magnetic Resonance Spectroscopy Approach has been published in Analytical Chemistry. more
November 2020
A collaborative paper on Vibrational couplings and energy transfer pathways of water's bending mode has been published in Nature Communications more
July 2020
Our paper on Composition-Dependent Hydrogen-Bonding Motifs and Dynamics in Brønsted Acid-Base Mixtures has been accepted for publication in J. Phys. Chem. B. more
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