Conclusions
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1.
Ozone reacts with ethanol in CCl4, 1,2-dichloroethane, acetic acid, or a mixture of CCl4 and 1,2-dichloroethane in a second-order reaction. The dependence of the reaction rate constant on the dielectric constant of the medium follows the Kirkwood equation. The dipole moment of the activated complex (AC) is 3.0 D.
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2.
The MO LCAO method in the CNDO/2 approximation has been used in analyzing possible models of the AC; and, on the basis of transition-state theory, values of the preexponential factor have been calculated. From a comparison of the experimental and calculated data, the most probable structure of the AC has been selected.
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Translated from Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, No. 6, pp. 1265–1271, June, 1985.
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Shereshovets, V.V., Shafikov, N.Y., Lomakin, G.S. et al. Oxidation of ethanol by ozone and analysis of probable structure of activated complex. Russ Chem Bull 34, 1157–1163 (1985). https://doi.org/10.1007/BF00956074
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DOI: https://doi.org/10.1007/BF00956074