Scientific article
English

Steric Effects on Reaction Rates. III: Application of Force-Field Calculations to Chromic Acid Oxidation of Alcohols

Published inHelvetica chimica acta, vol. 65, no. 4, p. 1212-1220
Publication date1982-06-16
First online date2004-10-25
Abstract

The rates of oxidation with chromic acid of 15 bi- and polycyclic secondary alcohols have been measured and correlated with strain changes calculated by the MM1-program between the alcohols and the corresponding ketones. A correlation of the same quality is obtained upon representation of OH-strain by CH3-strain. The significance of the correlations with respect to the oxidation mechanism as well as the limitations of the applicability of force-field calculations to reactivity problems are discussed.

Citation (ISO format)
MULLER, Paul, BLANC, Jacky, LENOIR, Dieter. Steric Effects on Reaction Rates. III: Application of Force-Field Calculations to Chromic Acid Oxidation of Alcohols. In: Helvetica chimica acta, 1982, vol. 65, n° 4, p. 1212–1220. doi: 10.1002/hlca.19820650410
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Journal ISSN0018-019X
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