Discovery of (1,3-Bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene)dichloro(phenylmethylene)(tricyclohexylphosphine)ruthenium

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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.

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Reference:
Highly efficient and robust molecular ruthenium catalysts for water oxidation,
Catalysts | Special Issue : Ruthenium Catalysts – MDPI