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
- Author(s)
- Jeong, Donghyun ; Hirao, Hajime ; Cho, Jaeheung
- Issued Date
- 2021-07
- Citation
- Bulletin of the Korean Chemical Society, v.42, no.7, pp.1033 - 1036
- Type
- Article
- Author Keywords
- Model chemistry ; Metal‐ ; iodosylarene ; C ; H bond activation
- Keywords
- MULTIPLE ACTIVE OXIDANTS ; OXYGEN-ATOM TRANSFER ; ALKANE HYDROXYLATION ; HYPERVALENT IODINE ; 2-STATE REACTIVITY ; NONHEME ; IODOSYLARENE ; ADDUCTS ; OXO ; IRON(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
- Publisher
- John Wiley and Sons Inc
- Files in This Item:
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- Appears in Collections:
- Department of Physics and Chemistry Biomimetic Materials Laboratory 1. Journal Articles
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