Controlling the Selectivity of Bioinspired Cu-Mediated O2 Activation for C–H Oxygenation (A03)

• Subject Area: Inorganic Molecular Chemistry - Synthesis and Characterisation ; Theoretical Chemistry: Electronic Structure, Dynamics, Simulation
• Term: since 2024
• Project identifier: Deutsche Forschungsgemeinschaft (DFG) - Project number 510228793

The project develops bioinspired copper complexes for the selective hydroxylation of non-activated C–H bonds with sustainable oxidants. Catalyst development is guided by the biological histidine brace structural motif in mononuclear copper monooxygenases. Combined spectroscopic, kinetic, and quantum-chemical studies will address the origin of ‘asynchronous’ PCET characteristics, the (electronic) structures of key inter-mediates, and the mechanism of multi-H+/e– pathways with particular emphasis on the role of H-tunneling. A03 collaborates with A04 (calorimetry), A05 (electroanalysis, theory), B01 (theory), B02 (EPR spectroscopy), B05 (supramolecular chemistry), and C04 (X-ray absorption spectroscopy).

• DFG Programme: Collaborative Research Centres
• Subproject of: SFB 1633: Pushing Electrons with Protons – Unifying Multi-Electron Redox Catalysis by Proton-Coupled Electron Transfer
• Applicant Institution: Georg-August-Universität Göttingen
• Project Heads: Professor Dr. Max C. Holthausen; Professor Dr. Franc Meyer