Infrared spectra of diatomic polar molecules in rare-gas liquids. I. Spectral theory
1989; American Institute of Physics; Volume: 91; Issue: 6 Linguagem: Inglês
10.1063/1.456918
ISSN1520-9032
AutoresJ. Pérez, D. Luis, A. Calvo Hernández, S. Velasco,
Tópico(s)Molecular Spectroscopy and Structure
ResumoA theoretical model for the infrared (0–1) band of dilute solutions of diatomic polar molecules in nonpolar rare-gas liquids is presented. The model is based on decomposition of the rotational motion of the diatomic molecule into two limiting cases, according to the Bratos model: quasifree rotation and rotational diffusion. Contribution to the infrared absorption coefficient due to quasifree rotation is analyzed within a non-Markovian formalism using a stochastic directing intermolecular field (DIF) model to describe the diatomic molecule–solvent interaction. The P and R branches appear as a consequence of the quasifree contribution, which is also important in the Q-branch region. The contribution due to rotational diffusion is calculated making use of the Debye model and is mainly significant in the Q-branch region.
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