Fermi resonance of Raman modes in the condensed phase: A theoretical investigation of the concentration dependent effects in molecular liquids
Fermi resonance of Raman modes in the condensed phase: A theoretical investigation of the concentration dependent effects in molecular liquids
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DOI：
10.1063/1.440585
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发表时间：
1980-10
影响因子：
4.4
通讯作者：
J. L. McHale;C. H. Wang
中科院分区：
文献类型：
--
作者：
J. L. McHale;C. H. Wang
从理论上研究了分子间相互作用对处于费米共振的两个模的拉曼光谱的影响。该理论包括振动能量的共振交换以及分子间和分子内的费米耦合相互作用，并有望成为解释所观察到的液态NH3和其他分子液体的费米共振带的拉曼光谱特征的浓度依赖性的现实模型。提供了费米相互作用参数、峰位置和费米共振带线宽的显式微观表达式。它示出的两个耦合带的峰位置将依赖于散射分子的浓度，并且对于强耦合的情况下，费米相互作用参数将具有非线性浓度依赖性，如在溶解在各种溶剂中的NH3中所观察到的。
The effect of intermolecular interaction on the Raman spectrum of two modes which are in Fermi resonance has been investigated theoretically. The theory includes the resonance exchange of vibrational energy as well as the inter‐ and intramolecular Fermi coupling interaction and is expected to be a realistic model for the interpretation of the concentration dependence of the observed Raman spectral features of the Fermi resonance bands of liquid NH3 and other molecular liquids. Explicit microscopic expressions for the Fermi interaction parameter, the peak positions, and linewidths of the Fermi‐resonance bands are provided. It is shown that the peak positions of the two coupled bands will be dependent on the concentration of the scattering molecules, and for the case of strong coupling the Fermi interaction parameter will have a nonlinear concentration dependence, as observed in NH3 dissolved in various solvents.