A library of related catalysts employing six first row transition metals and eighteen electronically and sterically diverse salen/an ligands have been developed in our laboratory for use in oxidative coupling reactions. Using high throughput experimentation (HTE), activity and selectivity were assessed for each of 24 unique catalysts with 24 phenolic substrates. Catalysts were then grouped into distinct categories using hierarchical clustering of the over 500 unique reaction outcomes. We are now probing the mechanism(s) and activity profiles of each cluster to uncover related reactivity. The small scale and rapid results of the method allow for quick assessment and discovery of subtle relationships among seemingly unrelated structures. In the future we hope to use this large data set to deduce which catalysts react by similar mechanisms and leverage this knowledge to develop new catalysts and methods.

Evaluating activity of transition metal catalysts of the salen/an framework and mechanistic pathway of oxidative coupling utilizing high throughput experimentation

Macromolecular Chemistry: The Second Century

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ACS Spring 2020 National Meeting & Expo

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.