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Kinetic analysis of the reactivity of peroxyl radicals in chain oxidation of unsaturated compoundsстатья
- Авторы: Pliss Eugene, Pokidova Tamara, Sirik Andrey, Grobov Alexey, Pitsyn Nikita, Machtin Viacheslav, Soloviev Mikhail, Berezin Mikhail
- Журнал: Reaction Kinetics, Mechanisms and Catalysis
- Год издания: 2023
- Издательство: Akademiai Kiado
- Местоположение издательства: Hungary
- DOI: 10.1007/s11144-023-02524-7
- Аннотация: The array of rate constants (323 K) for the addition of peroxyl radicals of different structures to the π-bonds of unsaturated compounds was obtained. These data were analyzed using a combination of correlation and quantum chemical methods. The prospects of using Denisov’s parabolic model are shown in comparison with classical linear correlations. It is noted that QSPR models using quantum chemical and structural descriptors can also be used to estimate the reactivity of reacting particles in this elementary act. The obtained kinetic information can be the basis for elucidating the detailed mechanism of oxidation of biologically significant molecules.
- Добавил в систему: Березин Михаил Петрович