Empirical rovibrational energy levels for carbonyl sulphide

IF 1.6 4区 化学 Q4 CHEMISTRY, PHYSICAL
Even Xu, Jonathan Tennyson
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引用次数: 0

Abstract

An exhaustive review of the measured rovibrational transitions of the 16O12C32S isotopologue of carbonyl sulphide is undertaken. A comprehensive analysis of data from 100 papers is carried out using a consistent set of harmonic oscillator quantum numbers which are recommended for future studies. A corrected compilation of 14,071 OCS transitions is then subjected to a Measured Active Rotational-Vibrational Energy Levels (MARVEL) analysis, resulting in 5729 empirical energy levels. The uncertainties corresponding to these levels are analysed using different procedures; the newly implemented bootstrap method is used to provide final uncertainties.
羰基硫化物的经验旋转振动能级
对羰基硫化物16O12C32S同位素测量的旋转振动跃迁进行了详尽的回顾。对来自100篇论文的数据进行了综合分析,使用了一套一致的谐振子量子数,这些量子数被推荐用于未来的研究。对14071个OCS跃迁进行校正后的编译,然后进行测量的主动旋转振动能级(MARVEL)分析,得到5729个经验能级。使用不同的程序分析与这些水平相对应的不确定度;采用新实现的自举法来提供最终不确定性。
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来源期刊
Molecular Physics
Molecular Physics 物理-物理:原子、分子和化学物理
CiteScore
3.60
自引率
5.90%
发文量
269
审稿时长
2 months
期刊介绍: Molecular Physics is a well-established international journal publishing original high quality papers in chemical physics and physical chemistry. The journal covers all experimental and theoretical aspects of molecular science, from electronic structure, molecular dynamics, spectroscopy and reaction kinetics to condensed matter, surface science, and statistical mechanics of simple and complex fluids. Contributions include full papers, preliminary communications, research notes and invited topical review articles.
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