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Ab initio investigations of perhydrotriquinacenyl and other bridgehead carbocations

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Published in Chemical Communications. 1993, no. 16, p. 1280-1282
Abstract Ab initio MO calculations at the SCF level using 6–31 G* basis sets show that only 2.1 kcal mol–1 more energy is needed to form perhydrotriquinacenyl cation 1 from the corresponding hydrocarbon than to form the tert-butyl cation from 2-methylpropane; such a stabilisation energy is comparable to those computed for 1-noradamantyl cation 2, 3-noradamantyl cation 3, and bicyclo[3.2.1]octan-1-yl cation 4, which are shown to be stabilized efficiently by C–C hyperconjugation.
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MAREDA, Jiri. Ab initio investigations of perhydrotriquinacenyl and other bridgehead carbocations. In: Chemical Communications, 1993, n° 16, p. 1280-1282. https://archive-ouverte.unige.ch/unige:7902

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