Role of Surface Compounds in the Gas-Phase Heterogeneous Oxidation of Dimethyl Sulfide. II. Theoretical Analysis of the Vibrational Spectra of Adsorbed Dimethyl Sulfide and Dimethyl Sulfoxide Molecules Научная публикация
Журнал |
Kinetics and Catalysis
ISSN: 0023-1584 , E-ISSN: 1608-3210 |
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Вых. Данные | Год: 1975, Том: 16, Номер: 1, Страницы: 110-114 Страниц : 5 | ||
Авторы |
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Организации |
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Реферат:
To explain the effect of the solid body surface on the frequencies of Me2S and Me2SO and the spectral changes occurring during the transition of free molecules to an adsorption state, the vibrational frequencies of the models of Me2S and Me2SO adsorbed on metal oxides were theoretically calculated. The dependence of the vibrational frequencies on the force and kinematic model parameters was studied. The calculations were performed in the approximation of valence-force field with changing, within wide limits, both the kinematic characteristics and force consts. of the individual bonds. The change of polarization of the bonds in the mol. affected most strongly the frequency values whereas the creation of a new adsorption bond and its strengthening affected the band positions to a smaller extent. The largest spectral changes were caused by the redistribution of electronic d. during the adsorption. The reaction of Me2S and Me2SO with oxides at ≤100° was realized through the S atom without a dissociation of the initial molecule
Библиографическая ссылка:
Shchekochikhin Y.M.
, Davydova E.M.
Role of Surface Compounds in the Gas-Phase Heterogeneous Oxidation of Dimethyl Sulfide. II. Theoretical Analysis of the Vibrational Spectra of Adsorbed Dimethyl Sulfide and Dimethyl Sulfoxide Molecules
Kinetics and Catalysis. 1975. V.16. N1. P.110-114. WOS РИНЦ
Role of Surface Compounds in the Gas-Phase Heterogeneous Oxidation of Dimethyl Sulfide. II. Theoretical Analysis of the Vibrational Spectra of Adsorbed Dimethyl Sulfide and Dimethyl Sulfoxide Molecules
Kinetics and Catalysis. 1975. V.16. N1. P.110-114. WOS РИНЦ
Оригинальная:
Щекочихин Ю.М.
, Давыдова Е.М.
Роль поверхностных соединений в реакции газофазного гетерогенного окисления диметилсульфида. II. Теоретический анализ колебательных спектров адсорбированных молекул диметилсульфида и диметилсульфоксида
Кинетика и катализ. 1975. Т.16. №1. С.138-143. РИНЦ
Роль поверхностных соединений в реакции газофазного гетерогенного окисления диметилсульфида. II. Теоретический анализ колебательных спектров адсорбированных молекул диметилсульфида и диметилсульфоксида
Кинетика и катализ. 1975. Т.16. №1. С.138-143. РИНЦ
Даты:
Поступила в редакцию: | 29 мая 1973 г. |
Идентификаторы БД:
Web of science | WOS:A1975AR20600024 |
РИНЦ | 46625653 |
Цитирование в БД:
Пока нет цитирований