Articles with "mechanistic account" as a keyword



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DFT Mechanistic Account for the Site Selectivity of Electron-Rich C(sp3)-H Bond in the Manganese-Catalyzed Aminations.

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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