Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
Based on numerous experimental data and results of ab initio calculations of intensities of the fundamental vs(XH) mode of the XH...Y (X = F, Cl, O, N) complex and of the 2vs overtone of the low-frequency vσ(X...Y) valence vibrational band and combination vs ± vσ bands, parameters of the model induced dipole moment are found. The data for ∼35 complexes of alcohols, amines, phenol, HCl, and HF are analyzed. It is shown that the dependence of the induced dipole moment on the coordinate r(XH) is described by a power function with the exponent a ≈ 3 in all systems studied. The individual contributions to the matrix element of the transition dipole moment for the fundamental vs mode are analyzed for the example of the HCN...HF complex using derivatives of the dipole moment of the complex and anharmonicity constants calculated from the model. Expressions and numerical estimates are obtained that describe the temperature dependence of the vs band intensity with and without account for combination vs ± vσbands.
Язык оригинала | английский |
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Страницы (с-по) | 172-177 |
Число страниц | 6 |
Журнал | Optics and Spectroscopy (English translation of Optika i Spektroskopiya) |
Том | 84 |
Номер выпуска | 2 |
Состояние | Опубликовано - 1998 |
ID: 90572324