Chemistry is the science of change. But why do chemical reactions take place? Why do chemicals react with each other? The answer is in thermodynamics and kinetics.In a document type is Article, 246047-72-3, the author is Fomine, Serguei and a compound is mentioned, 246047-72-3, (1,3-Bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene)dichloro(phenylmethylene)(tricyclohexylphosphine)ruthenium, introducing its new discovery.
Ring-opening of cyclohexene via metathesis by ruthenium carbene complexes. A computational study
Cyclohexene (CH) metathesis reaction mediated by the second-generation ruthenium alkylidene catalyst (IMeSH2)(PCy3)CI 2Ru=CHPh (1a), ruthenium ester carbene complexes (IMeSH 2)(PCy3)CI2Ru= CHCOOMe (1b), and (PCy 3)2CI2Ru=CHCOOMe (1c), where IMesH2 is a 1,3-dimesityl-4,5-dihydroimidazol-2-ylidene group, has been modeled at the PBE0/LACV3P**++//PBE0/LACVP* level of theory. The calculations revealed that the necessary condition for the catalyst to be active in CH ring-opening is the existence of a high-energy pi-complex. It has been shown that the complex 4b complies with this condition, while the ruthenium alkylidene 4a does not. The higher reactivity of lb compared to 1c can be rationalized in terms of better stabilization of the Ru center in transition states by the IMesH2 ligand.
But sometimes, even after several years of basic chemistry education,, 246047-72-3 it is not easy to form a clear picture on how they govern reactivity! Read on for other articles about 246047-72-3!
Reference£º
Highly efficient and robust molecular ruthenium catalysts for water oxidation,
Catalysts | Special Issue : Ruthenium Catalysts – MDPI