Chemistry

News and events

22 January 2020

Research Seminar: Understanding Pd-catalysed cross-coupling processes using traditional mechanistic studies, automated reaction screening and statistical data analysis

Presented By Prof. Iain Fairlamb (University of York)

About this event

Abstract

In this lecture I will introduce a background to Pd-catalysed cross-coupling processes, focussing on catalyst activation, substrate turnover, catalyst speciation and subsequent deactivation.  From Suzuki-Miyaura cross-coupling processes to direct arylation reactions, I will highlight how subtle differences made to reaction variables can affect catalyst efficacy, esepcially catalyst performance and product selectivity.   By screening reactions in high throughput mode we are able to gain deeper insights into reaction mechanism(s), coupled with traditional ways of mechanistic study.  We employ Principal Component Analysis and Decision Trees to help aid our holistic understanding of reactions where many side-products form.  The latter can raise the potential for exploitation for discovering new types of reactions.  By the end of the lecture, you will have a deeper understanding of what happens when you simply mix a ligand together with Pd(OAc)2, specifically the importance associated with Pd(OAc)2/ligand ratios.