Ab initio molecular orbital calculations on the intramolecular rearrangements of the methylperoxyl and ethylperoxyl radicals are reported, together with transition-state structures and vibration frequencies for the ethylperoxyl reactions. Estimated equilibrium constants for the formation of two methylperoxyl isomers, CH(OH)2 and CH2(OH)O, are also reported.
D. Shen, A. Moise and H. O. Pritchard, J. Chem. Soc., Faraday Trans., 1995, 91, 1425 DOI: 10.1039/FT9959101425
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