Theoretical Study on the Aliphatic  C─H  Bond Activation by a Mononuclear Manganese( III ) Iodosylbenzene Complex | Zendy

Jeong Donghyun | Zendy; Hirao Hajime | Zendy; Cho Jaeheung | Zendy

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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.

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