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Addition of the line list for carbon disulfide to the HITRAN database: line positions, intensities, and half-widths of the 12C32S2, 32S12C34S, 32S12C33S, and 13C32S2 isotopologues
Journal of Quantitative Spectroscopy and Radiative Transfer ( IF 2.3 ) Pub Date : 2020-08-22 , DOI: 10.1016/j.jqsrt.2020.107275
E.V. Karlovets , I.E. Gordon , R. Hashemi , R.V. Kochanov , R.J. Hargreaves , L.S. Rothman

A new ro-vibrational line list for the 12C32S2, 32S12C34S, 32S12C33S, and 13C32S2 isotopologues of carbon disulfide, including line positions, intensities, and linewidths, has been produced as part of the HITRAN2020 project. The carbon disulfide line list covers the range from about 0 to 6470 cm−1 (1.55 µm). The calculations of the line positions and intensities were performed by applying the PGOPHER program using a large set of measured line positions available in the literature, including the most recent high-precision dual-comb laser spectroscopy measurements and transition dipole moments for each measured band. The bands which did not have available intensity measurements were scaled to the experimental cross-sections from the PNNL database. Semi-empirical models for rotational dependence of air- and self-broadened half widths are developed based on the available experimental data.

A total of 94992 transitions corresponding to 423 cold and hot bands of the 12C32S2, 32S12C34S, 32S12C33S, and 13C32S2 isotopologues up to a maximum rotational angular momentum J=150 have been calculated. The CS2 line list has been generated in HITRAN format and is provided as supplementary material and will be a part of the next edition of the HITRAN database distributed through https://www.hitran.org. This list will be useful in the fields of atmospheric environmental chemistry, medical diagnostics and planetary atmospheres.



中文翻译:

行列表中的另外二硫化碳到HITRAN数据库:线位置,强度和所述的半宽度12 Ç 32 s ^ 232 š 12 Ç 34 S,32 š 12 Ç 33 S,和13 Ç 32 š 2同位素同源物

一种新的RO-振动线列表中为12 Ç 32 s ^ 232 š 12 Ç 34 S,32 š 12 Ç 33 S,和13 Ç 32 š 2个同位素异二硫化碳,包括线位置,强度和线宽,已是HITRAN2020项目的一部分。二硫化碳行列表涵盖了大约0到6470 cm -1的范围(1.55微米)。线位置和强度的计算是通过使用PGOPHER程序进行的,其中使用了文献中提供的大量测量线位置,包括最新的高精度双梳状激光光谱测量和每个测量带的跃迁偶极矩。没有可用强度测量的谱带根据PNNL数据库的实验横截面缩放。基于可用的实验数据,建立了半宽和自宽半宽旋转相关性的半经验模型。

对应于423冷和热带总共94992个跃迁12 Ç 32 s ^ 232 š 12 Ç 34 S,32 š 12 Ç 33 S,和13 Ç 32 š 2个同位素最多转动角动量Ĵ =已计算出150个。CS 2行列表已以HITRAN格式生成,并作为补充材料提供,并将成为通过https://www.hitran.org分发的下一版HITRAN数据库的一部分。该列表将在大气环境化学,医学诊断和行星大气领域中很有用。

更新日期:2020-10-17
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