N2-broadening coefficients of methyl chloride at room temperature

被引:33
|
作者
Bray, C. [1 ,2 ]
Jacquemart, D. [1 ,2 ]
Buldyreva, J. [3 ]
Lacome, N. [1 ,2 ]
Perrin, A. [4 ,5 ,6 ]
机构
[1] Univ Paris 06, UMR 7075, Lab Dynam Interact & Reactivite, F-75252 Paris 05, France
[2] CNRS, Lab Dynam Interact & Reactivite, UMR 7075, F-75252 Paris 05, France
[3] Univ Franche Comte, CNRS, UMR 6213, Inst UTINAM, F-25030 Besancon, France
[4] CNRS, UMR7583, LISA, F-94010 Creteil, France
[5] UPEC, F-94010 Creteil, France
[6] Univ Paris 07, F-94010 Creteil, France
来源
JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER | 2012年 / 113卷 / 11期
关键词
Methyl chloride; v(1) band; Pure rotational band; High-resolution Fourier transform spectra; N-2-broadening coefficients; Room temperature; J and K dependences; Semi-classical approach; DIODE-LASER MEASUREMENTS; LINE PARAMETERS; SPECTRAL-LINES; N2-BROADENING COEFFICIENTS; BROADENING COEFFICIENTS; EMISSIONS INVENTORY; REACTIVE CHLORINE; (CH3CL)-CL-35; REGION; BAND;
D O I
10.1016/j.jqsrt.2012.01.028
中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
摘要
Methyl chloride is of interest for atmospheric applications, since this molecule is directly involved in the catalytic destruction of ozone in the lower stratosphere. In a previous work [Bray et al. JQSRT 2011;112:2446], lines positions and intensities of self-perturbed (CH3Cl)-C-12-Cl-35 and (CH3Cl)-C-12-Cl-37 have been studied into details for the 3.4 mu m spectral region. The present work is focused on measurement and calculation of N-2-broadening coefficients of the (CH3Cl)-C-12-Cl-35 and (CH3Cl)-C-12-Cl-37 isotopologues. High-resolution Fourier Transform spectra of CH3Cl-N-2 mixtures at room-temperature have been recorded between 2800 and 3200 cm(-1) at LADIR (using a classical source) and between 47 and 59 cm(-1) at SOLEIL (using the synchrotron source on the AILES beamline). 612 mid-infrared transitions of the v(1) band and 86 far-infrared transitions of the pure rotational band have been analyzed using a multispectrum fitting procedure. Average accuracy on the deduced N-2-broadening coefficients has been estimated to 5% and 10% in the mid- and far-infrared spectral regions, respectively. The J- and K-rotational dependences of these coefficients have been observed in the mid-infrared region and then a simulation has been performed using an empirical model for 0 <= J <= 50, K <= 9. The (CH3Cl)-C-12-Cl-35-N-2 line widths for 0 <= J <= 50 and K <= 10 of the v(1) band and for 55 <= J <= 67 and K <= 15 of the pure rotational band have been computed using a semi-classical approach involving exact trajectories and a real symmetric-top geometry of the active molecule. Finally, a global comparison with the experimental and theoretical data existing in the literature has been performed. Similar J- and K-rotational dependences have been appeared while no clear evidence for any vibrational or isotopic dependences have been pointed out. (C) 2012 Elsevier Ltd. All rights reserved.
引用
收藏
页码:1102 / 1112
页数:11
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