298 K 时四分频谱下部 4970-5300 cm-1 范围内 13CH4 光谱的赋值与建模

IF 2.3 3区 物理与天体物理 Q2 OPTICS Journal of Quantitative Spectroscopy & Radiative Transfer Pub Date : 2024-09-12 DOI:10.1016/j.jqsrt.2024.109196
Evgeniya Starikova , Keeyoon Sung , Andrei V. Nikitin , Michael Rey , Vladimir Tyuterev
{"title":"298 K 时四分频谱下部 4970-5300 cm-1 范围内 13CH4 光谱的赋值与建模","authors":"Evgeniya Starikova ,&nbsp;Keeyoon Sung ,&nbsp;Andrei V. Nikitin ,&nbsp;Michael Rey ,&nbsp;Vladimir Tyuterev","doi":"10.1016/j.jqsrt.2024.109196","DOIUrl":null,"url":null,"abstract":"<div><div>The absorption spectrum of the <sup>13</sup>CH<sub>4</sub> methane isotopologue was recorded on a Bruker IFS-125HR Fourier transform spectrometer at 298 K in the 4970–6200 cm<sup>−1</sup> range. In this paper we report the results of assignment and modelling of the line positions and intensities of <sup>13</sup>CH<sub>4</sub> in the range of weaker absorption between 4970 and 5300 cm<sup>−1</sup>, corresponding to the lower part of Tetradecad, dominated by the 4ν<sub>4</sub> band system near 5180 cm<sup>−1</sup>. The empirical list in this spectral range contains 1642 lines. Using an effective Hamiltonian initially derived from the analyses of cold Fourier transform (4970–5853 cm<sup>−1</sup>) and laser direct absorption (5853–6200 cm<sup>−1</sup>) spectra of the <sup>13</sup>CH<sub>4</sub>, we assigned 1600 lines belonging to four bands of the Tetradecad up to <em>J</em><sub>max</sub>=16. The 1548 line positions were fitted with an <em>rms</em> deviation of 1.7 × 10<sup>−3</sup> cm<sup>−1</sup>. Measured line intensities were modeled for 674 transitions using the effective dipole transition moments to an <em>rms</em> deviation of about 7 %. The new data were used for the simultaneous global fit of the <sup>13</sup>CH<sub>4</sub> Hamiltonian parameters for the {Ground state / Dyad / Pentad / Octad / Tetradecad} system and the dipole moment parameters for the {Ground state - Tetradecad} system.</div></div>","PeriodicalId":16935,"journal":{"name":"Journal of Quantitative Spectroscopy & Radiative Transfer","volume":"329 ","pages":"Article 109196"},"PeriodicalIF":2.3000,"publicationDate":"2024-09-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Assignment and modeling of 13CH4 spectrum at 298 K in the lower part of the Tetradecad in the 4970–5300 cm−1 range\",\"authors\":\"Evgeniya Starikova ,&nbsp;Keeyoon Sung ,&nbsp;Andrei V. Nikitin ,&nbsp;Michael Rey ,&nbsp;Vladimir Tyuterev\",\"doi\":\"10.1016/j.jqsrt.2024.109196\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>The absorption spectrum of the <sup>13</sup>CH<sub>4</sub> methane isotopologue was recorded on a Bruker IFS-125HR Fourier transform spectrometer at 298 K in the 4970–6200 cm<sup>−1</sup> range. In this paper we report the results of assignment and modelling of the line positions and intensities of <sup>13</sup>CH<sub>4</sub> in the range of weaker absorption between 4970 and 5300 cm<sup>−1</sup>, corresponding to the lower part of Tetradecad, dominated by the 4ν<sub>4</sub> band system near 5180 cm<sup>−1</sup>. The empirical list in this spectral range contains 1642 lines. Using an effective Hamiltonian initially derived from the analyses of cold Fourier transform (4970–5853 cm<sup>−1</sup>) and laser direct absorption (5853–6200 cm<sup>−1</sup>) spectra of the <sup>13</sup>CH<sub>4</sub>, we assigned 1600 lines belonging to four bands of the Tetradecad up to <em>J</em><sub>max</sub>=16. The 1548 line positions were fitted with an <em>rms</em> deviation of 1.7 × 10<sup>−3</sup> cm<sup>−1</sup>. Measured line intensities were modeled for 674 transitions using the effective dipole transition moments to an <em>rms</em> deviation of about 7 %. The new data were used for the simultaneous global fit of the <sup>13</sup>CH<sub>4</sub> Hamiltonian parameters for the {Ground state / Dyad / Pentad / Octad / Tetradecad} system and the dipole moment parameters for the {Ground state - Tetradecad} system.</div></div>\",\"PeriodicalId\":16935,\"journal\":{\"name\":\"Journal of Quantitative Spectroscopy & Radiative Transfer\",\"volume\":\"329 \",\"pages\":\"Article 109196\"},\"PeriodicalIF\":2.3000,\"publicationDate\":\"2024-09-12\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Quantitative Spectroscopy & Radiative Transfer\",\"FirstCategoryId\":\"101\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0022407324003030\",\"RegionNum\":3,\"RegionCategory\":\"物理与天体物理\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"OPTICS\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Quantitative Spectroscopy & Radiative Transfer","FirstCategoryId":"101","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0022407324003030","RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"OPTICS","Score":null,"Total":0}
引用次数: 0

摘要

布鲁克 IFS-125HR 傅立叶变换光谱仪在 298 K 温度下记录了 13CH4 甲烷同素异形体在 4970-6200 cm-1 范围内的吸收光谱。在本文中,我们报告了对 4970 至 5300 cm-1 之间较弱吸收范围内 13CH4 的谱线位置和强度进行赋值和建模的结果,该范围对应于 Tetradecad 的下半部分,以 5180 cm-1 附近的 4ν4 波段系统为主。该光谱范围内的经验列表包含 1642 条光谱线。通过对 13CH4 的冷傅立叶变换(4970-5853 cm-1)和激光直接吸收(5853-6200 cm-1)光谱的分析,我们初步得出了有效哈密顿方程,并利用该方程分配了 1600 条属于 Tetradecad 的四个波段(最高 Jmax=16)的谱线。1548 条线的位置拟合均方根偏差为 1.7 × 10-3 cm-1。利用有效偶极转换矩为 674 个转换建立了测量到的线强度模型,均方根偏差约为 7%。新数据用于同时对{基态/二元/五元/八元/十元四元}系统的 13CH4 哈密顿参数和{基态-十元四元}系统的偶极矩参数进行全局拟合。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
查看原文
分享 分享
微信好友 朋友圈 QQ好友 复制链接
本刊更多论文
Assignment and modeling of 13CH4 spectrum at 298 K in the lower part of the Tetradecad in the 4970–5300 cm−1 range
The absorption spectrum of the 13CH4 methane isotopologue was recorded on a Bruker IFS-125HR Fourier transform spectrometer at 298 K in the 4970–6200 cm−1 range. In this paper we report the results of assignment and modelling of the line positions and intensities of 13CH4 in the range of weaker absorption between 4970 and 5300 cm−1, corresponding to the lower part of Tetradecad, dominated by the 4ν4 band system near 5180 cm−1. The empirical list in this spectral range contains 1642 lines. Using an effective Hamiltonian initially derived from the analyses of cold Fourier transform (4970–5853 cm−1) and laser direct absorption (5853–6200 cm−1) spectra of the 13CH4, we assigned 1600 lines belonging to four bands of the Tetradecad up to Jmax=16. The 1548 line positions were fitted with an rms deviation of 1.7 × 10−3 cm−1. Measured line intensities were modeled for 674 transitions using the effective dipole transition moments to an rms deviation of about 7 %. The new data were used for the simultaneous global fit of the 13CH4 Hamiltonian parameters for the {Ground state / Dyad / Pentad / Octad / Tetradecad} system and the dipole moment parameters for the {Ground state - Tetradecad} system.
求助全文
通过发布文献求助,成功后即可免费获取论文全文。 去求助
来源期刊
CiteScore
5.30
自引率
21.70%
发文量
273
审稿时长
58 days
期刊介绍: Papers with the following subject areas are suitable for publication in the Journal of Quantitative Spectroscopy and Radiative Transfer: - Theoretical and experimental aspects of the spectra of atoms, molecules, ions, and plasmas. - Spectral lineshape studies including models and computational algorithms. - Atmospheric spectroscopy. - Theoretical and experimental aspects of light scattering. - Application of light scattering in particle characterization and remote sensing. - Application of light scattering in biological sciences and medicine. - Radiative transfer in absorbing, emitting, and scattering media. - Radiative transfer in stochastic media.
期刊最新文献
On radial quadrature method applied to spherical wave expansion of Gaussian beams Optical properties of semi-transparent sensor covers determined from their spectral intensity distribution function Editorial Board Improved line list of methane in the 900–1050 cm-1 region Computational toolbox for scattering of focused light from flattened or elongated particles using spheroidal wavefunctions
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
现在去查看 取消
×
提示
确定
0
微信
客服QQ
Book学术公众号 扫码关注我们
反馈
×
意见反馈
请填写您的意见或建议
请填写您的手机或邮箱
已复制链接
已复制链接
快去分享给好友吧!
我知道了
×
扫码分享
扫码分享
Book学术官方微信
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术
文献互助 智能选刊 最新文献 互助须知 联系我们:info@booksci.cn
Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。
Copyright © 2023 Book学术 All rights reserved.
ghs 京公网安备 11010802042870号 京ICP备2023020795号-1