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.