Sustainable Cross-Coupling Catalysis: Towards Sub10 ppm Pd Catalyst Loadings

This PhD will start on 1 January 2021.

Metal-catalysed cross-coupling reactions are critical in the generation of new lead structures for discovery in research. These reactions are further embedded in the process and manufacture of commercial products. The choice of the metal (pre)catalyst, additives and conditions are oftentimes critical to the success of reaction outcomes. The Fairlamb group have worked with Dr. Mark Ford from Bayer AG (Crop Science Division) as part of a long-standing collaboration. A key driver for the agrochemical industry is to utilise Pd catalysis at ultra-low catalyst loadings (towards sub10 ppm levels). This asks a lot of the catalyst but is potentially achievable through understanding the mechanistic processes involved in catalyst activation, speciation and deactivation processes. For example, we have learnt a lot about the formation Pd3 clusters and their role in Suzuki-Miyaura cross-coupling catalysis(1) . We have also demonstrated how Pd catalyst speciation can be partitioned between soluble molecular Pd species and higher order Pd clusters species, depending on the amount of water present in the system (2), enabling sub10 ppm Pd catalysis in cyanation reactions of halogenated 2-pyridones.

In this new PhD project we will take on new mechanistic thinking and understanding about Pd catalyst speciation to enable practical cross-coupling reactions of various organohalides with organometallic reagents and/or suitable reagents containing activated C-H bonds, with a focus on agrochemical target compounds.

The project will involve training and skills development in organic synthesis, reaction mechanisms, organometallic chemistry, catalysis and quantitative physical measurements. Automated reaction screening methods and rich data analytics will be employed to aid understanding of catalyst behaviour and reaction outcomes.

All Chemistry research students have access to our innovative Doctoral Training in Chemistry (iDTC): cohort-based training to support the development of scientific, transferable and employability skills: https://www.york.ac.uk/chemistry/postgraduate/idtc/

The Department of Chemistry holds an Athena SWAN Gold Award and is committed to supporting equality and diversity for all staff and students. The Department strives to provide a working environment which allows all staff and students to contribute fully, to flourish, and to excel: https://www.york.ac.uk/chemistry/ed/.

You should expect hold or expect to achieve the equivalent of at least a UK upper second class degree in Chemistry or a related subject. Please check the entry requirements for your country: https://www.york.ac.uk/study/international/your-country/