Quantum-chemical analysis of the disproportionation of nitroxyl and peroxyl radicals in oxidizing organic compounds
- Авторы: Pliss E.M.1, Soloviev M.E.2, Tikhonov I.V.1, Loshadkin D.V.2, Buchachenko A.L.1,3
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Учреждения:
- Demidov Yaroslavl State University
- Yarosalvl State Technical University
- Semenov Institute of Chemical Physics
- Выпуск: Том 10, № 3 (2016)
- Страницы: 417-420
- Раздел: Kinetics and Mechanism of Chemical Reactions. Catalysis
- URL: https://journals.rcsi.science/1990-7931/article/view/197605
- DOI: https://doi.org/10.1134/S1990793116030052
- ID: 197605
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Аннотация
The enthalpy change of disproportionation reaction of nitroxyl and peroxyl radicals was calculated by the DFT B3LYP/cc-pVDZ method. The regeneration of the corresponding hydroxylamine during the oxidation of unsaturated compounds inhibited by nitroxyl radicals is shown to be associated with the disproportionation of the nitroxyl and peroxyl radicals.
Об авторах
E. Pliss
Demidov Yaroslavl State University
Автор, ответственный за переписку.
Email: pliss@uniyar.ac.ru
Россия, Yaroslavl
M. Soloviev
Yarosalvl State Technical University
Email: pliss@uniyar.ac.ru
Россия, Yaroslavl
I. Tikhonov
Demidov Yaroslavl State University
Email: pliss@uniyar.ac.ru
Россия, Yaroslavl
D. Loshadkin
Yarosalvl State Technical University
Email: pliss@uniyar.ac.ru
Россия, Yaroslavl
A. Buchachenko
Demidov Yaroslavl State University; Semenov Institute of Chemical Physics
Email: pliss@uniyar.ac.ru
Россия, Yaroslavl; Moscow
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