Calculation of infrared band shapes in liquid solutions of diatomic polar molecules in nonpolar solvents

被引：37

作者：

Robert, D. ^{[1
]}

Galatry, L. ^{[1
]}

机构：

[1] Spect Hertzienne Lab, Grp Phys Mol, Fac Sci, Besancon 25, France

来源：

CHEMICAL PHYSICS LETTERS | 1967年 / 1卷 / 09期

关键词：

D O I：

10.1016/0009-2614(67)80047-2

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The calculation of the infrared band shapes of a polar diatomic molecule in a nonpolar solvent is performed by using a cell model to represent the solution and by introducing the torque on its rotational motion due to the simultaneous influence of the surrounding molecules. The average deformation of rotational wave functions is taken into account in zero order of the calculation. The fluctuation of the solute-solvent interaction potential energy around this average value is found to be responsible for the broadening of these discrete components. The resulting spectral band shape is compared with the experimental data and some conclusions are discussed.

引用

页码：399 / 403

页数：5

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