Temperature dependence of isotropic Raman intramolecular vibrational band contour formation of some liquids. The computer research of methyl iodide

Abstract

The theoretical analysis of resonant dynamic intermolecular interaction influence on formation of isotropic intramolecular vibrational bands contours in liquids at various temperatures, stipulated by existence of molecules local ordering, has been conducted within the framework of cluster-continuum modle. The new mechanism of isotropic spectral bands narrowing with temperature, observed for some liquids, is offered. This mechanism is stipulated by growing similarity for frequencies of resonant splitting intramolecular vibrational components as structural elements of appropriate spectral bands owing to temperature disording of local molecular surroundings in liquids. On example of liquid methyl iodide the computer analysis of proposed mechanism influence on formation of liquids vibrational spectral function at various temperatures is conducted. The satisfactory consent between results of computer analysis and appropriate experimental data is obtained.