{"title":"H2S ν1 + ν2和ν2 + ν3波段的co2展宽系数","authors":"T.M. Petrova, A.M. Solodov, A.A. Solodov, V.M. Deichuli, N.N. Lavrentieva, A.S. Dudaryonok, T.A. Nevzorova","doi":"10.1016/j.jms.2026.112080","DOIUrl":null,"url":null,"abstract":"<div><div>High-resolution spectra of H<sub>2</sub>S perturbed by CO<sub>2</sub> were recorded, at room temperature, using a Bruker IFS 125HR spectrometer covering the range from 3766 to 4018 cm<sup>−1</sup> with a resolution of 0.004–0.01 cm<sup>−1</sup>. A multispectrum fitting procedure was employed to retrieve the spectral line parameters using quadratic speed-dependent Voigt (qSDV) profiles, which reproduced the experimental line shapes within the experimental noise. Line broadening coefficients for 97 H<sub>2</sub>S transitions were obtained with an estimated uncertainty of <4% for unblended lines. Semiempirical calculations based on a parametrically modified impact semiclassical model were performed, with the model parameters determined from a fit to the experimental data. The J, Kₐ dependences of the obtained line profile parameters were analyzed.</div></div>","PeriodicalId":16367,"journal":{"name":"Journal of Molecular Spectroscopy","volume":"416 ","pages":"Article 112080"},"PeriodicalIF":1.3000,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"CO2-broadening coefficients in the ν1 + ν2 and ν2 + ν3 bands of H2S\",\"authors\":\"T.M. Petrova, A.M. Solodov, A.A. Solodov, V.M. Deichuli, N.N. Lavrentieva, A.S. Dudaryonok, T.A. Nevzorova\",\"doi\":\"10.1016/j.jms.2026.112080\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>High-resolution spectra of H<sub>2</sub>S perturbed by CO<sub>2</sub> were recorded, at room temperature, using a Bruker IFS 125HR spectrometer covering the range from 3766 to 4018 cm<sup>−1</sup> with a resolution of 0.004–0.01 cm<sup>−1</sup>. A multispectrum fitting procedure was employed to retrieve the spectral line parameters using quadratic speed-dependent Voigt (qSDV) profiles, which reproduced the experimental line shapes within the experimental noise. Line broadening coefficients for 97 H<sub>2</sub>S transitions were obtained with an estimated uncertainty of <4% for unblended lines. Semiempirical calculations based on a parametrically modified impact semiclassical model were performed, with the model parameters determined from a fit to the experimental data. The J, Kₐ dependences of the obtained line profile parameters were analyzed.</div></div>\",\"PeriodicalId\":16367,\"journal\":{\"name\":\"Journal of Molecular Spectroscopy\",\"volume\":\"416 \",\"pages\":\"Article 112080\"},\"PeriodicalIF\":1.3000,\"publicationDate\":\"2026-02-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Molecular Spectroscopy\",\"FirstCategoryId\":\"101\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0022285226000123\",\"RegionNum\":4,\"RegionCategory\":\"物理与天体物理\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"2026/2/6 0:00:00\",\"PubModel\":\"Epub\",\"JCR\":\"Q4\",\"JCRName\":\"PHYSICS, ATOMIC, MOLECULAR & CHEMICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Molecular Spectroscopy","FirstCategoryId":"101","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0022285226000123","RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"2026/2/6 0:00:00","PubModel":"Epub","JCR":"Q4","JCRName":"PHYSICS, ATOMIC, MOLECULAR & CHEMICAL","Score":null,"Total":0}
CO2-broadening coefficients in the ν1 + ν2 and ν2 + ν3 bands of H2S
High-resolution spectra of H2S perturbed by CO2 were recorded, at room temperature, using a Bruker IFS 125HR spectrometer covering the range from 3766 to 4018 cm−1 with a resolution of 0.004–0.01 cm−1. A multispectrum fitting procedure was employed to retrieve the spectral line parameters using quadratic speed-dependent Voigt (qSDV) profiles, which reproduced the experimental line shapes within the experimental noise. Line broadening coefficients for 97 H2S transitions were obtained with an estimated uncertainty of <4% for unblended lines. Semiempirical calculations based on a parametrically modified impact semiclassical model were performed, with the model parameters determined from a fit to the experimental data. The J, Kₐ dependences of the obtained line profile parameters were analyzed.
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.