ProjektCATALOOP – Closing the loop in stereoselective catalysis with data-driven approaches

Grunddaten

Akronym:
CATALOOP
Titel:
Closing the loop in stereoselective catalysis with data-driven approaches
Laufzeit:
01.10.2025 bis 30.09.2028
Abstract / Kurz- beschreibung:
Within the frame of a MSCA doctoral network we will focus of the investigation of relationship between structure of Ni(II) complexes with phosphine ligands and their function in C-S couplings. Complexes of type [Ni(P2)ArX] (P2 = bisphosphine ligand) were found to be suitable precatalysts in C–S and other couplings, but applications in enantioselective versions for the generation of axial and planar chiral products are unknown. Despite the rapid progress of nickel catalysis, the understanding of the influence of ligands on the reactivity and selectivity is lacking a systematic approach. Therefore, the main objectives of this project are: 1) Development of chiral ligands for C–S couplings according to the jointly developed data guidelines; 2) Investigation of the relationship between structure and overall catalytic performance by including data-driven analysis and identification of decisive structural elements (P- chiral vs. chiral backbone); 3) Study of the influence of steric and electronic parameters on the elemental catalytic steps; 4) Synthesis and evaluation of the new designed ligands and complexes. 5) Test the use of mixtures of monodentate phosphine ligands as alternative enantioselective catalytic systems and build predictive models with the dedicated descriptors developed in the consortium.

Beteiligte Mitarbeiter/innen

Leiter/innen

Institut für Organische Chemie
Fachbereich Chemie, Mathematisch-Naturwissenschaftliche Fakultät

Lokale Einrichtungen

Institut für Organische Chemie
Fachbereich Chemie
Mathematisch-Naturwissenschaftliche Fakultät

Geldgeber

Hilfe

wird permanent gelöscht. Dies kann nicht rückgängig gemacht werden.