Reference of 246047-72-3. Let¡¯s face it, organic chemistry can seem difficult to learn. Especially from a beginner¡¯s point of view. Like 246047-72-3, Name is (1,3-Bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene)dichloro(phenylmethylene)(tricyclohexylphosphine)ruthenium. In a document type is Article, introducing its new discovery.
Regioselectivity of Stoichiometric Metathesis of Vinylsilanes with Second-Generation Grubbs Catalyst: A Combined DFT and Experimental Study
The regioselectivity of metathesis reactions of trisubstituted vinylsilanes H2C=CHSiR3 (SiR3 = SiCl3, SiCl2Me, SiClMe2, SiMe3, Si(OEt)3) with the second-generation ruthenium alkylidene complex has been studied theoretically, by density functional theory (DFT), and experimentally. The DFT results indicate that cycloreversion is the rate-determining step and the formation of a thermodynamically stable ruthenium methylidene complex and PhCH=CHSiR3 is generally preferred. However, the regioselectivity of the process can be also governed by the relative stabilities of the ruthenacyclobutane intermediates, which depend on the electronic and steric properties of the SiR3 substituent. Higher stability of alpha,beta-disubstituted ruthenacyclobutanes in comparison to alpha,alpha-disubstituted ruthenacyclobutanes is predicted, in contrast to the corresponding intermediates formed during metathesis of common alpha-olefins. The stabilizing Ru-Cbeta interaction in the ring is strengthened by the electron-donor SiR3 substituent at Cbeta. The experiments performed have shown selectivity toward styrene formation for SiR3 = SiClMe2, SiMe3, whereas a preference for the formation of ruthenium methylidene and PhCH=CHSiR3 has been observed for SiR3 = SiCl3, SiCl2Me, Si(OEt)3, in accordance with the theoretical predictions.
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Highly efficient and robust molecular ruthenium catalysts for water oxidation,
Catalysts | Special Issue : Ruthenium Catalysts – MDPI