Chemical and Biological Systems Simulation Laboratory

PRELUDIUM 16

Analysis of the degradation reactions of ruthenium metathesis catalysts

Project period: 2019-2022

Funding: NCN Preludium 16, UMO-2018/31/N/ST4/01394

PI: mgr Katarzyna Młodzikowska-Pieńko

The main goal of this research project is a systematic study the possible degradation pathways of ruthenium metathesis catalysts. Olefin metathesis is widely use organic reaction, that has been an important synthetic tool in forming the double carbon-carbon bonds. Metathesis requires metal catalysts, and the most common are complexes based on ruthenium. These complexes are often classified as Grubb’s catalysts and Hoveyda-Grubbs catalysts (with chelating the ispopropoxystyrene ligand). In this project we will use a quantum chemistry approach to explore the degradation pathways of metathesis catalysts on the atomic scale.

Selected publications

K. Młodzikowska-Pieńko, B. Trzaskowski, "Decomposition of ruthenium metathesis catalysts: unsymmetrical N-heterocyclic carbenes (uNHCs) versus cyclic alkyl amino carbenes (CAACs)", Organometallics, 41, 3627–3635 (2022). doi: 10.1021/acs.organomet.2c00432