Empirical rovibrational energy levels for carbon disulfide

IF 1.4 4区物理与天体物理 Q4 PHYSICS, ATOMIC, MOLECULAR & CHEMICAL Journal of Molecular Spectroscopy Pub Date : 2025-03-01 DOI:10.1016/j.jms.2025.111998

Tanvi Sattiraju, Jonathan Tennyson

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Abstract

An analysis of the measured rovibrational transitions is carried out for the

^{12}

^{32}

_{2}

isotopologue of carbon disulfide. Data from 21 sources is extracted and validated using a consistent set of standard linear molecule quantum numbers. A corrected list of 8714 CS

_{2}

transitions forms the input to a Measured Active Rotational–Vibrational Energy Levels (MARVEL) procedure, generating 4279 empirical rovibrational energy levels across 138 bands of

^{12}

^{32}

_{2}

. Results are compared to the recent NASA Ames line list. While the agreement is generally good, issues are identified with the energy levels of some states, notably those with high values of the

v_{2}

bending quantum number.

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对二硫化碳的 12C32S2 同素异形体进行了振动跃迁测量分析。从 21 个数据源中提取数据，并使用一套一致的标准线性分子量子数进行验证。8714 个 CS2 转变的校正列表构成了测量活动旋转振动能级（MARVEL）程序的输入，生成了 12C32S2 138 个波段的 4279 个经验旋转振动能级。研究结果与美国国家航空航天局（NASA）最新的艾姆斯谱线清单进行了比较。虽然两者的一致性总体良好，但还是发现了一些状态的能级存在问题，尤其是那些 v2 弯曲量子数值较高的状态。

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来源期刊

Journal of Molecular Spectroscopy 物理-光谱学

CiteScore

2.70

自引率

21.40%

发文量

审稿时长

29 days

期刊介绍： The Journal of Molecular Spectroscopy presents experimental and theoretical articles on all subjects relevant to molecular spectroscopy and its modern applications. An international medium for the publication of some of the most significant research in the field, the Journal of Molecular Spectroscopy is an invaluable resource for astrophysicists, chemists, physicists, engineers, and others involved in molecular spectroscopy research and practice.