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

Title
Theoretical Study on the Aliphatic C-H Bond Activation by a Mononuclear Manganese(III) Iodosylbenzene Complex
Authors
Jeong, DonghyunHirao, HajimeCho, Jaeheung
DGIST Authors
Jeong, Donghyun; Hirao, Hajime; Cho, Jaeheung
Issue Date
2021-07
Citation
Bulletin of the Korean Chemical Society, 42(7), 1033-1036
Type
Article
Author Keywords
Model chemistryMetal&#8208iodosylareneC&#63743H bond activation
Keywords
MULTIPLE ACTIVE OXIDANTSOXYGEN-ATOM TRANSFERALKANE HYDROXYLATIONHYPERVALENT IODINE2-STATE REACTIVITYNONHEMEIODOSYLARENEADDUCTSOXOIRON(III)
ISSN
0253-2964
Abstract
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. © 2021 Korean Chemical Society, Seoul & Wiley-VCH GmbH
URI
http://hdl.handle.net/20.500.11750/13699
DOI
10.1002/bkcs.12300
Publisher
John Wiley and Sons Inc
Files:
There are no files associated with this item.
Collection:
Department of Physics and ChemistryBiomimetic Materials Laboratory1. Journal Articles


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