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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
- Issued Date
- 2021-07
- Citation
- BULLETIN OF THE KOREAN CHEMICAL SOCIETY, v.42, no.7, pp.1033 - 1036
- 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.
- Publisher
- WILEY-V C H VERLAG GMBH
- ISSN
- 0253-2964
- Keyword (Author)
- Model chemistry, Metal‐, iodosylarene, C, H bond activation
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