Investigating Activation Pathways of Industrially Critical Pd Cross-Coupling Pre-Catalysts

Johnson-Matthey are interested in the design, synthesis and catalytic activity of palladium pre-catalysts for application in industrially-critical cross-coupling reactions (such as Suzuki-Miyaura and Buchwald-Hartwig cross-coupling reactions).

The mechanisms of activation of palladium pre-catalysts depends on many reaction parameters and exogenous chemical triggers.

The primary focus of the project is to improve efficiency and sustainability in industrial processes that are dependent on the use of homogeneous precious palladium pre-catalysts.

Mechanistic studies will be used to elucidate pre-catalyst activations pathways, with the global aim to contribute towards the development of greener and more efficient cross-coupling methodologies that can contribute positively to net-Zero targets.

The PhD project will involve chemical synthesis, pre-catalyst screening (aided by high-throughput experimentation and data analysis) and mechanistic studies in organic and organometallic chemistry.

Techniques such as IR (in situ), UV-vis, NMR (solution and solid-state), MS and X-ray diffraction methods will be employed routinely. The work will be underpinned by computational studies using Density Functional Theory methodologies. Greener solvent usage and lower energy demand processes will underpin the project.