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Adsorption аnd Oxidation of Carbon Monoxide on Co - ZSM-5 Zeolitesтезисы доклада
- Авторы: Shilina M.I., Gloriozov I.P., Zhidomirov G.M.
- Сборник: Mechanisms of Catalytic Reactions (MCR-XI). XI International Conference./ October 7-11, 2019, Sochi, Krasnodar region, Russia [Electronic resource]: Abstracts
- Тезисы
- Год издания: 2019
- Место издания: Novosibirsk: BIC Novosibirsk
- Первая страница: 190
- Последняя страница: 190
- Аннотация: The interaction of CO with Co-ZSM-5 was investigated by a combination of IR spectroscopy and DFT calculations employing the ω/r correlation for calculations of CO stretching frequencies in order to gain more insight on Co2+cation coordination in the ZSM-5 zeolite and site-specificity of CO stretching frequency in IR spectra of CO/Co-ZSM-5 system. The new absorption band at 2215 cm-1 was assigned to the carbonyl complexes on Co(III) located in oxocations [Co2O2]2+. The data of quantum chemical DFT calculations showed that the most likely active centres in the oxidation of CO by oxygen on Co-ZSM-5 are the polynuclear oxocations [Co(III)-(µ-O)2-Co(III)]2+. The possible ways for the oxidation of carbon monoxide under these species were analysed.
- Добавил в систему: Шилина Марина Ильинична