Activation of molecular oxygen in trifluoroacetic acid

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 CF 3 CO 2 H 2 + and H 3 O + species after oxygen was fed in the reactor. Quantum-chemical calculations show that a radi...

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Bibliographic Details
Published in:Russian Journal of Physical Chemistry A 2010-11, Vol.84 (11), p.1905-1907
Main Authors: Vishnetskaya, M. V., Vasin, A. V., Solkan, V. N., Zhidomirov, G. M., Mel’nikov, M. Ya
Format: Article
Language:English
Subjects:
Chemical Kinetics and Catalysis
Chemistry
Chemistry and Materials Science
Physical Chemistry
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Summary: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 CF 3 CO 2 H 2 + and H 3 O + 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 CF 3 CO 2 H 2 + ... 3 O 2 ...CF 3 CO 2 − peroxide radical, and the acid molecule in the CF 3 C 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.
ISSN:0036-0244
1531-863X
DOI:10.1134/S0036024410110154