Experimental and DFT Mechanistic Study of Dehydrohalogenation of 1-Chloro-1,1-difluoroethane over Metal Fluorides
Sign Up to like & getrecommendations! Published in 2019 at "Industrial & Engineering Chemistry Research"
DOI: 10.1021/acs.iecr.9b03976
Abstract: Vinylidene fluoride (VDF) is one of the major fluorinated monomers. Currently, it is produced via the pyrolysis of 1-chloro-1,1-difluoroethane at above 650 °C without any catalyst. Herein, we propo... read more here.
Keywords: dft mechanistic; mechanistic study; chloro; chloro difluoroethane ... See more keywords
DFT Mechanistic Account for the Site Selectivity of Electron-Rich C(sp3)-H Bond in the Manganese-Catalyzed Aminations.
Sign Up to like & getrecommendations! Published in 2020 at "Organic letters"
DOI: 10.1021/acs.orglett.9b04215
Abstract: DFT study suggests that the C-H cleavage involved in the C(sp3)-H amination catalyzed by manganese perchlorophthalocyanine complex [MnIII(ClPc)]+ proceeds via hydride transfer (HYT), instead of hydrogen atom transfer (HAT), thus elucidating why the reaction favors… read more here.
Keywords: electron rich; dft mechanistic; bond; mechanistic account ... See more keywords