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Comments to the article “Kinetics and Thermodynamics of Formation and Degradation of α-Hydrohyperoxyl Radicals” by E. T. Denisov and T. G. Denisova
Abstract In these comments, a substantiated conclusion was made that the additive calculation scheme proposed by E.T. Denisov and T.G. Denisova for the enthalpies of formation, ΔH f 0 (g), of α-hydroxyhydroperoxides (15 compounds) is erroneous, since the well-known interaction in the systems when two O atoms are located on the same carbon atom was ignored. As a consequence, the cited authors overestimated the values of ΔH f 0 for molecules by ∼30 kJ mol−1 and more. Using some examples, we present another empirical scheme of calculation of ΔH f 0 for such systems, which gives more accurate results. Since the formation enthalpies for the starting molecules calculated by the authors of the article in question were used further in the calculation of the kinetic and thermodynamic parameters of α-hydroxyperoxyl radicals, the values of these parameters and ΔH f 0 for these free radicals are incorrect.
Comments to the article “Kinetics and Thermodynamics of Formation and Degradation of α-Hydrohyperoxyl Radicals” by E. T. Denisov and T. G. Denisova
Abstract In these comments, a substantiated conclusion was made that the additive calculation scheme proposed by E.T. Denisov and T.G. Denisova for the enthalpies of formation, ΔH f 0 (g), of α-hydroxyhydroperoxides (15 compounds) is erroneous, since the well-known interaction in the systems when two O atoms are located on the same carbon atom was ignored. As a consequence, the cited authors overestimated the values of ΔH f 0 for molecules by ∼30 kJ mol−1 and more. Using some examples, we present another empirical scheme of calculation of ΔH f 0 for such systems, which gives more accurate results. Since the formation enthalpies for the starting molecules calculated by the authors of the article in question were used further in the calculation of the kinetic and thermodynamic parameters of α-hydroxyperoxyl radicals, the values of these parameters and ΔH f 0 for these free radicals are incorrect.
Comments to the article “Kinetics and Thermodynamics of Formation and Degradation of α-Hydrohyperoxyl Radicals” by E. T. Denisov and T. G. Denisova
Ponomarev, D. A. (author) / Takhistov, V. V. (author)
Petroleum Chemistry ; 48 ; 150-154
2008-03-01
5 pages
Article (Journal)
Electronic Resource
English
Springer Verlag | 1976
Online Contents | 1966
Online Contents | 1976
Kinetics and thermodynamics of formation and degradation of α-hydroxyperoxyl radicals
| Springer Verlag | 2006