Simple modeling of line-mixing effects in IR bands. II. Nonlinear molecules applications to O3 and CHClF2

Abstract

A simple semiempirical approach is developed in order to model the shape of infrared absorption bands. It is based on use of the strong collision model and of a classical representation of rotational levels. The absorption coefficient then has a simple analytical expression whose wavenumber and pressure dependencies are computed by using eleven parameters which depend on the considered vibrational transition, the temperature, and the nature of the perturber only. These quantities, which are band-averaged values of the detailed spectroscopic and collisional parameters of the molecular system, can be deduced from direct fits of measured spectra. The model thus requires no previous knowledge of the characteristics of the molecules and is thus applicable to complex systems; in particular it seems a promising approach for very dense molecular spectra for which only absorption cross sections are now available. Tests are presented in the case of O3 and CHClF2 bands perturbed by N2 at room temperature for which new measurements have been made. They demonstrate the accuracy of our semiempirical approach in predicting the spectral shape in a wide range of density provided that effective parameters are used.