Correlation between the Thermodynamic and Kinetic Parameters of the Oxidation Reactions of Substituted Mononuclear Arenes in the Presence of N-Hydroxyphthalimide.

Autor: Solov'ev, M. E., Kurganova, E. A., Frolov, A. S., Koshel', G. N.
Zdroj: Russian Journal of Physical Chemistry; Mar2019, Vol. 93 Issue 3, p470-475, 6p
Abstrakt: The effect the structure of substituted mononuclear arenes has on the thermodynamic functions of reactions during their oxidation in the presence of N-hydroxyphthalimide is studied. The relationship between the free energy of the oxidation of cumene, isopropyl-m-xylene, isopropyl-o-xylene, isopropyl-p-xylene, m-cymene, p-cymene, and cyclohexylbenzene and its rate at 363–413 K is studied. There is a strong correlation between the free energy of hydrogen abstraction from a tertiary carbon atom with an N-hydroxyphthalimide radical, the rate constant of this reaction, and rate of oxidation for different isomers of the same hydrocarbon, making it possible to predict their relative oxidability. [ABSTRACT FROM AUTHOR]
Databáze: Complementary Index