Journal
ORGANIC LETTERS
Volume 22, Issue 2, Pages 453-457Publisher
AMER CHEMICAL SOC
DOI: 10.1021/acs.orglett.9b04215
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Funding
- National Science Foundation of China [21773240, 21673156, 21573233]
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DFT study suggests that the C-H cleavage involved in the C(sp(3))-H amination catalyzed by manganese perchlorophthalocyanine complex [Mn-III(ClPc)](+) proceeds via hydride transfer (HYT), instead of hydrogen atom transfer (HAT), thus elucidating why the reaction favors aminating the electron-rich C-H bond, rather than that with smaller bond dissociation energy preferred by HAT. Detailed analyses indicate the HYT actually occurs via concerted electron and hydrogen atom transfers and the redox-active ClPc ligand enables the HYT.
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