期刊
ORGANIC & BIOMOLECULAR CHEMISTRY
卷 18, 期 40, 页码 8103-8108出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/d0ob01705a
关键词
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资金
- Australian Research Council [DP180100904]
A combination of iodosobenzene (PhIO) and molecular iodine (I-2) is well-documented to produce a key species capable of conducting various organic reactions through radical mechanisms. This key species is identified here by density functional theory (DFT) calculations to be the hypoiodite radical (IO). The calculations show that two equivalents of IO are generated when I(2)reacts with two equivalents of PhIO. One of the ensuing IO species acts as a hydrogen abstractor and thus forms an organic radical and the other one is involved in oxidation of the resultant organic radical to afford the final product.
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