Photo-PCET Mediators for Selective Bond Activation and Formation (A02)

• 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 will develop molecular photo-PCET mediators for the photoelectrochemical activation of strong and formation of weak E–H (E = C, N, O) bonds, using photoactive polyoxometalates (POMs) and transition metal hydrides (TMHs), respectively. Tuning strategies for the photo-PCET kinetics from charge-separated LMCT (POM) and MLCT (TMH) excited states will be developed and vetted vs. a quantum-chemical adaption of the Marcus-Hush model within a joint experimental and computational approach. A02 collaborates with A01/B02 (theory), A01/C04 (time-resolved UVvis/X-ray spectroscopy), A04/A06 (PCET mediators), A04 (calorimetry), A05 (spectroelectrochemistry), B03 (PHIP-NMR), and C03 (vibrational 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: Professorin Dr. Vera Krewald; Professor Dr. Sven Schneider; Professor Dr. Carsten Streb