ExoMol line lists - LI. Molecular line lists for lithium hydroxide (LiOH)
ExoMol line lists - LI. Molecular line lists for lithium hydroxide (LiOH)
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ExoMol 产品线列表 - LI。
DOI：
10.1093/mnras/stad3226
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发表时间：
2024
影响因子：
4.8
通讯作者：
Owens A
中科院分区：
文献类型：
--
作者：
Owens A
本文给出了覆盖波长λ>；1M(0-10 000U/cm−1范围)的氢氧化锂(6Li16O1H和7Li16O1H)的新分子线表。每个线表包含大约3亿个转动-振动能级之间的跃迁，总角动量高达J=95，适用于高达≈3500K的温度。线表计算基于先前发表的高水平从头算初始势能面和新计算的接地电子态的偶极矩表面。锂分子在各种恒星物体中都很重要，而且在系外行星的大气层中也有可能观察到LiOH。凌日光谱是以岩石超级地球55-Cancri Ee为例，在包括LiOH在内的两种不同的大气情景下进行模拟的。这项工作提供了LiOH的第一个、全面的线表，为其未来的分子检测提供了便利。OYT7谱线列表以及与温度和压力相关的分子不透明度可从www.exomol.com的ExoMol数据库和CDS天文数据库下载。
New molecular line lists for lithium hydroxide (6Li16O1H and7Li16O1H isotopologues) covering wavelengths λ > 1m (0–10 000 cm−1range) are presented. Each line list contains around 300 million transitions between rotation–vibration energy levels with total angular momentum up toJ= 95, applicable for temperatures up toT≈ 3500 K. Line list calculations were based on a previously published, high-levelab initiopotential energy surface and a newly computed dipole moment surface of the groundelectronic state. Lithium-containing molecules are important in a variety of stellar objects and there is potential for LiOH to be observed in the atmospheres of exoplanets. Transit spectra are simulated using the rocky super-Earth 55 Cancri e as an example with two different atmospheric scenarios including LiOH. This work provides the first, comprehensive line lists of LiOH to facilitate its future molecular detection. The OYT7 line lists along with the associated temperature- and pressure-dependent molecular opacities can be downloaded from the ExoMol database at www.exomol.com and the CDS astronomical database.