New olefin metathesis catalyst bearing N-mesitylimidazole and nitrate ligands – Synthesis, activity, and performance in aqueous media

Abstract A new 18-electron ruthenium complex, where ruthenium catalytic center is coordinated with the N -mesitylimidazole and nitrate ligands, as well as o -isopropoxystyrene moiety, is reported. The synthesis and detailed characterization of the Ru complex, together with density functional theory calculations (DFT), are presented. The complex is air- and moisture-stable, although has weak catalytical activity in the model metathesis reactions. However, its activity increases upon the addition of an aqueous HCl 1 M solution. Activated Ru complex successfully promotes metathesis in organic solvents as well as in water, enabling efficient performance (even up to 100%) of the catalyst under environment-friendly conditions. The activation mechanism of the reported catalyst is supported by time-dependent DFT calculations and ab initio molecular dynamics simulations.