In crystallo approaches to CO2 activation using organometallic catalysts

Traditionally organometallic chemistry and catalysis occurs in solution. However, a relatively newly developed method in the Weller group at York is to explore synthesis and catalysis in single-crystals of organometallic complexes – where reactivity occurs in the crystalline lattice. This, ‘in crystallo’ chemistry, offers exciting opportunities for the isolation, characterisation and reactivity of complexes that are unstable in solution. In this project the student will combine these in crystallo methods developed by the York team, with exciting new catalytic systems based in earth abundant metals developed by the Yale team, to study the activation of small molecules such as H₂ and CO₂, with the ultimate aim of developing sustainable routes to CO₂ utilisation. In particular, we are interested in whether reversible coordination (hemilability) of a ligand bound to the metal can occur in crystallo and whether this will help in H₂ and CO₂ activation. The successful student will be trained in using in crystallo methods at York before moving onto the main part of the project at Yale where solid/gas reactivity with single crystals will be explored. Students will need to organise their own accommodation and be expected to present their findings orally at a research day in York in September 2026.