Abstract:
The DFT B3LYP-/6-311+G* calculations of the reactions beween 1,3,5-Ad3C6H3 (Ad=1-adamantyl) and CBr3+Al2Br7− with or without CO reveal that only sp3 C–H route occurs.
Citation:
Yu. A. Borisov, I. S. Akhrem, “DFT B3LYP/6-311+G* calculation study of a new nonclassical mechanism of electrophilic functionalization of aromatic C–H bond via aryl cation formation”, Mendeleev Commun., 29:3 (2019), 343–345
Linking options:
https://www.mathnet.ru/eng/mendc1518
https://www.mathnet.ru/eng/mendc/v29/i3/p343
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