Abstract
The interaction of molecular oxygen with aqueous trifluoroacetic acid (TFA) led to an increase in pH. This effect was explained by a decrease in the concentration of the protonated CF3CO2H 2 + and H3O+ species after oxygen was fed in the reactor. Quantum-chemical calculations show that a radical pair can be formed in an activation-free exothermal reaction involving the radical residue of the acid, the CF3CO2H 2 + ...3O2...CF3CO 2 − peroxide radical, and the acid molecule in the CF3C 2 · ...HOO· collision complex. It was assumed that the activation of molecular oxygen in aqueous TFA solutions, providing the activity of the system in oxidations of various organic and inorganic substrates, is related to the formation of peroxide radicals in them.
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