{"title":"Empirical rovibrational energy levels for carbonyl sulphide","authors":"Even Xu, Jonathan Tennyson","doi":"10.1080/00268976.2023.2279694","DOIUrl":null,"url":null,"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.","PeriodicalId":18817,"journal":{"name":"Molecular Physics","volume":" 40","pages":"0"},"PeriodicalIF":1.6000,"publicationDate":"2023-11-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Molecular Physics","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1080/00268976.2023.2279694","RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
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.
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.