Designing Bridges between Radical and Organometallic Reactivity

This project explores the role of ligands and reaction conditions in (i) directing organometallic complexes to take radical pathways, and (ii) diverting radical reactions to give organometallic outcomes. We will initially concentrate on palladium and nickel as the metals. The aim is to give access to catalytic and chain reactions that are otherwise not feasible. DFT methods will be deployed to interrogate the reactivity of putative complexes and radicals, thereby rationalising experimental observations and guiding reaction design. Opportunities to develop a computational model through machine learning in collaboration with GSK will be pursued. The project aligns closely with EPSRC research areas of Catalysis, Synthetic Organic Chemistry and Computational and Theoretical Chemistry