Simple modeling of line-mixing effects in IR bands .2. Nonlinear molecules applications to O-3 and CHClF2

被引:8
|
作者
Hartmann, JM
NguyenVanThanh
Brodbeck, C
Benidar, A
LeDoucen, R
Regalia, L
Barbe, A
机构
[1] UNIV RENNES 1,LAB PHYS ATOM & MOLEC,CNRS URA 1203,F-35042 RENNES,FRANCE
[2] UNIV REIMS,LAB SPECT MOLEC & ATMOSPHER,CNRS URA 1434,F-51062 REIMS,FRANCE
来源
JOURNAL OF CHEMICAL PHYSICS | 1996年 / 104卷 / 06期
关键词
D O I
10.1063/1.470974
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
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 O-3 and CHClF2 bands perturbed by Nz 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. (C) 1996 American Institute of Physics.
引用
收藏
页码:2185 / 2191
页数:7
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