A non-empirical molecular orbital study of the Wolff rearrangement
- 1 January 1973
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Journal of the Chemical Society, Perkin Transactions 2
- No. 6,p. 794-795
- https://doi.org/10.1039/p29730000794
Abstract
Oxiren and formylcarbene, postulated intermediates in the Wolff rearrangement, are shown to have almost identical energies and both are less stable than keten by 70 kcal mol–1. Reactivities of the isomers are explicible in terms of computed charge densities.Keywords
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