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Theoretical Study on the Aliphatic C─H Bond Activation by a Mononuclear Manganese( III ) Iodosylbenzene Complex
Author(s) -
Jeong Donghyun,
Hirao Hajime,
Cho Jaeheung
Publication year - 2021
Publication title -
bulletin of the korean chemical society
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.237
H-Index - 59
ISSN - 1229-5949
DOI - 10.1002/bkcs.12300
Subject(s) - manganese , chemistry , hydride , peripheral blood mononuclear cell , hydrogen atom , electron transfer , atom (system on chip) , medicinal chemistry , stereochemistry , photochemistry , hydrogen , biochemistry , organic chemistry , alkyl , computer science , in vitro , embedded system
We present a theoretical study on the aliphatic C─H bond activation of cyclohexadiene (CHD) by a mononuclear manganese(III) iodosylbenzene complex [Mn III (TBDAP)(OIPh)(OH)] 2+ ( 1 ). The results suggest that the first step is overall characterized as hydride transfer. However, at the more fundamental level, this step consists of a hydrogen atom transfer and a subsequent electron transfer.