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DFT mechanistic study of reactions of С6H6 and 1,3,5-Ad3C6H3 with CBr3. The first example of hydride transfer from aromatic CH bond to electrophile

Yurii A. Borisov,Irena S. Akhrem

Journal of Molecular Catalysis A: Chemical（2017）

Cited 5|Views6
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Abstract
DFT mechanistic study of reactions of C6H6 and 1,3,5- Ad3C6H3 with CB3 + as a model of superelectrophilic catalyst. The first example of hydride transfer from aromatic CH bond to electrophile followed by hydride abstraction of the aryl cation from organic group.
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Key words
Density functional theory,Mechanism of electrophilic reactions of arenes,Aryl cation,Rearrangement of adamantyl cation into protoadamantyl cation,Superelectrophile CBr3+
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