MINDO/3 studies are reported of the electrocyclic conversion of Dewar benzene, and of its 1-chloro-and 1,4-dichloro-derivatives, into benzene, chlorobenzene, and p-dichlorobenzene, the calculated activation energies being 114·2, 104·1, and 104·1 kJ mol–1 respectively; the transition states of these ‘forbidden’ reactions show no peculiar features.
M. J. S. Dewar and S. Kirschner, J. Chem. Soc., Chem. Commun., 1975, 463 DOI: 10.1039/C39750000463
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