Energy barriers to carousel rearrangements of carbocations: Quantum-chemical calculations vs. experiment |
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| Authors: | A. M. Genaev G. E. Sal’nikov V. G. Shubin |
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| Affiliation: | (1) Vorozhtsov Novosibirsk Institute of Organic Chemistry, Siberian Division, Russian Academy of Sciences, Novosibirsk, 630090, Russia |
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| Abstract: | By DFT method energy barriers were calculated for carousel rearrangements of bicyclo[3.1.0]hexenyl, cyclobutenyl, and homotropylium cations. A plausible agreement between calculated and experimental findings was found. |
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