Organometallic Chemistry by ESI-MS/MS. Mechanism and Design in Homogeneous Catalysis

ESI-MS/MS, together with computational and solution-phase studies, is used to elucidate the mechanisms in homogeneous catalysis by transition metal complexes. Reactive intermediates can be directly observed, which then with kinetic studies and quantum chemical calculations, lead to proposals for existing and new catalytic cycles. Finally, the results from gas-phase studies feed into a synthetic program which seeks to incorporate the detail mechanistic results into the design of solution-phase catalysts with substantially improved reactivity or selectivity. Examples from olefin metathesis and Ziegler-Natta polymerization are shown.