MINDO/2? and MINDO/3 studies of the electrocyclic conversion of Dewar benzene into benzene
- 1 January 1975
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Journal of the Chemical Society, Chemical Communications
- No. 12,p. 463-464
- https://doi.org/10.1039/c39750000463
Abstract
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.Keywords
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