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Collisional broadening of rotation-vibration lines for asymmetric top molecules. I. Theoretical model for both distant and close collisions

  • Institut UTINAM - Univers, Temps-fréquence, Interfaces, Nanostructures, Atmosphère et environnement, Molécules
  • Ecole Centrale Paris

Résultats de recherche: Contribution à un journalArticleRevue par des pairs

Résumé

A semiclassical theory of infrared linewidths in the gas, previously developed for linear molecules, is extended to asymmetric top molecules. It includes a satisfactory treatment of the close collisions and is consequently adapted to describe the temperature dependence of the linewidths, in particular in the combustion temperature range. Numerical applications to the water vapor perturbed by nitrogen, oxygen, and argon show strong different behaviors following the nature of the perturber. For oxygen and argon perturbers, the contribution of close collisions is the predominant mechanism of line broadening. The consistency of the theoretical model is evidenced by comparison with precise measurements for H2O-N2, -O2, and Ar at 300 K. Moreover, the calculated temperature dependence of the linewidths is compared with recent experimental data for H2O-Ar between 1300 and 2300 K.

langue originaleAnglais
Pages (de - à)4256-4267
Nombre de pages12
journalJournal of Chemical Physics
Volume84
Numéro de publication8
Les DOIs
étatPublié - 1 janv. 1986
Modification externeOui

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