B05 - The Effect of Oriented Electric Fields on PCET Reactions

Project B05 aims to derive models that allow for describing and predicting the effect of oriented electric fields on the kinetics and thermodynamics of PCET steps, i.e., 1H+/1e− and 1H+/2e− transfer. The potential of oriented electric fields for rational control of reactivity remains largely untapped in synthetic chemistry although they play a crucial role in modifying the free energy landscape of the reaction by interacting with the dipoles and net charges of reactants, products, and transition states.
Project B05 targets elementary PCET reactivity of systems with different X−H bond polarities, namely MO−Hδ+ reagents and M−Hδ− units as these are pivotal structural motives in the CRC. Supramolecular cages will be established to model electric fields of different strength and direction.