介于 6075 和 8050 cm-1 之间的乙烯吸收光谱:经验线表和振荡赋值

IF 2.3 3区 物理与天体物理 Q2 OPTICS Journal of Quantitative Spectroscopy & Radiative Transfer Pub Date : 2024-08-30 DOI:10.1016/j.jqsrt.2024.109175
O. Ben Fathallah , S. Béguier , M. Rey , L. Manceron , A. Campargue
{"title":"介于 6075 和 8050 cm-1 之间的乙烯吸收光谱:经验线表和振荡赋值","authors":"O. Ben Fathallah ,&nbsp;S. Béguier ,&nbsp;M. Rey ,&nbsp;L. Manceron ,&nbsp;A. Campargue","doi":"10.1016/j.jqsrt.2024.109175","DOIUrl":null,"url":null,"abstract":"<div><p>The highly congested absorption spectrum of ethylene (C<sub>2</sub>H<sub>4</sub>) is analyzed between 6075 and 8050 cm<sup>-1</sup>. In the 6200–8050 cm<sup>-1</sup> range, a list of about 32,650 lines is retrieved from a room temperature spectrum recorded by Fourier transform spectroscopy (<em>P</em> = 15.72 mbar, <em>L</em> = 45 m). This dataset was merged with a set of about 3460 lines available in the literature in the region of the strong ν<sub>5</sub>+ν<sub>9</sub> band near 6150 cm<sup>-1</sup>. In addition, two FTS spectra at 130 K provide complementary information in the 6020–6320 cm<sup>-1</sup> range (about 7570 lines).</p><p>Relying on the position and intensity agreements with a line list of <sup>12</sup>C<sub>2</sub>H<sub>4</sub> transitions calculated by the variational method, a total of 4090 transitions is assigned to eighteen bands, ten of them being newly reported. All the reported assignments are confirmed by Lower State Combination Difference (LSCD) relations <em>i.e.</em> all the upper states (1749 in total) have coinciding determinations of their energies through several transitions (up to 6). The obtained empirical energy values are given and compared to their variational counterpart. As an additional validation test of the lower state assignments, the room temperature intensities are extrapolated at 130 K and compared to their experimental values. Overall, a large fraction of the strong lines of the region is assigned and the total intensity of the assigned transitions represents 46 and 55% of the total variational and experimental intensities at 296 K, respectively. In the considered range, variational positions deviate from measurements by a few cm<sup>-1</sup> and the total variational absorption is underestimated by 40 %.</p></div>","PeriodicalId":16935,"journal":{"name":"Journal of Quantitative Spectroscopy & Radiative Transfer","volume":"329 ","pages":"Article 109175"},"PeriodicalIF":2.3000,"publicationDate":"2024-08-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S0022407324002826/pdfft?md5=eda5d1f981926d8a2441103f64938e66&pid=1-s2.0-S0022407324002826-main.pdf","citationCount":"0","resultStr":"{\"title\":\"The ethylene absorption spectrum between 6075 and 8050 cm-1: Empirical line list and rovibrational assignments\",\"authors\":\"O. Ben Fathallah ,&nbsp;S. Béguier ,&nbsp;M. Rey ,&nbsp;L. Manceron ,&nbsp;A. Campargue\",\"doi\":\"10.1016/j.jqsrt.2024.109175\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>The highly congested absorption spectrum of ethylene (C<sub>2</sub>H<sub>4</sub>) is analyzed between 6075 and 8050 cm<sup>-1</sup>. In the 6200–8050 cm<sup>-1</sup> range, a list of about 32,650 lines is retrieved from a room temperature spectrum recorded by Fourier transform spectroscopy (<em>P</em> = 15.72 mbar, <em>L</em> = 45 m). This dataset was merged with a set of about 3460 lines available in the literature in the region of the strong ν<sub>5</sub>+ν<sub>9</sub> band near 6150 cm<sup>-1</sup>. In addition, two FTS spectra at 130 K provide complementary information in the 6020–6320 cm<sup>-1</sup> range (about 7570 lines).</p><p>Relying on the position and intensity agreements with a line list of <sup>12</sup>C<sub>2</sub>H<sub>4</sub> transitions calculated by the variational method, a total of 4090 transitions is assigned to eighteen bands, ten of them being newly reported. All the reported assignments are confirmed by Lower State Combination Difference (LSCD) relations <em>i.e.</em> all the upper states (1749 in total) have coinciding determinations of their energies through several transitions (up to 6). The obtained empirical energy values are given and compared to their variational counterpart. As an additional validation test of the lower state assignments, the room temperature intensities are extrapolated at 130 K and compared to their experimental values. Overall, a large fraction of the strong lines of the region is assigned and the total intensity of the assigned transitions represents 46 and 55% of the total variational and experimental intensities at 296 K, respectively. In the considered range, variational positions deviate from measurements by a few cm<sup>-1</sup> and the total variational absorption is underestimated by 40 %.</p></div>\",\"PeriodicalId\":16935,\"journal\":{\"name\":\"Journal of Quantitative Spectroscopy & Radiative Transfer\",\"volume\":\"329 \",\"pages\":\"Article 109175\"},\"PeriodicalIF\":2.3000,\"publicationDate\":\"2024-08-30\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://www.sciencedirect.com/science/article/pii/S0022407324002826/pdfft?md5=eda5d1f981926d8a2441103f64938e66&pid=1-s2.0-S0022407324002826-main.pdf\",\"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/S0022407324002826\",\"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/S0022407324002826","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

分析了乙烯(C2H4)在 6075 至 8050 厘米-1 之间高度拥挤的吸收光谱。在 6200-8050 cm-1 范围内,通过傅立叶变换光谱仪(P = 15.72 毫巴,L = 45 米)记录的室温光谱中检索到了约 32,650 条谱线。该数据集与文献中 6150 cm-1 附近强 ν5+ν9 波段区域内约 3460 条谱线集进行了合并。此外,130 K 时的两个 FTS 光谱提供了 6020-6320 cm-1 范围内的补充信息(约 7570 条线)。根据与变分法计算的 12C2H4 转变线列表的位置和强度的一致性,共有 4090 个转变被分配到 18 个波段,其中 10 个是新报告的。所有报告的分配都得到了下层态组合差分(LSCD)关系的证实,即所有上层态(共 1749 个)的能量都通过几个转变(最多 6 个)得到了一致的测定结果。本文给出了所获得的经验能量值,并将其与变分对应值进行了比较。作为对低态分布的额外验证测试,还推断了 130 K 时的室温强度,并将其与实验值进行了比较。总体而言,该区域的大部分强线都得到了分配,分配的跃迁总强度分别占 296 K 时变异总强度和实验总强度的 46% 和 55%。在所考虑的范围内,变分位置与测量值有几厘米-1 的偏差,总的变分吸收被低估了 40%。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

摘要图片

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
The ethylene absorption spectrum between 6075 and 8050 cm-1: Empirical line list and rovibrational assignments

The highly congested absorption spectrum of ethylene (C2H4) is analyzed between 6075 and 8050 cm-1. In the 6200–8050 cm-1 range, a list of about 32,650 lines is retrieved from a room temperature spectrum recorded by Fourier transform spectroscopy (P = 15.72 mbar, L = 45 m). This dataset was merged with a set of about 3460 lines available in the literature in the region of the strong ν59 band near 6150 cm-1. In addition, two FTS spectra at 130 K provide complementary information in the 6020–6320 cm-1 range (about 7570 lines).

Relying on the position and intensity agreements with a line list of 12C2H4 transitions calculated by the variational method, a total of 4090 transitions is assigned to eighteen bands, ten of them being newly reported. All the reported assignments are confirmed by Lower State Combination Difference (LSCD) relations i.e. all the upper states (1749 in total) have coinciding determinations of their energies through several transitions (up to 6). The obtained empirical energy values are given and compared to their variational counterpart. As an additional validation test of the lower state assignments, the room temperature intensities are extrapolated at 130 K and compared to their experimental values. Overall, a large fraction of the strong lines of the region is assigned and the total intensity of the assigned transitions represents 46 and 55% of the total variational and experimental intensities at 296 K, respectively. In the considered range, variational positions deviate from measurements by a few cm-1 and the total variational absorption is underestimated by 40 %.

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
Update Granada–Amsterdam Light Scattering Database Line-shape parameters and their temperature dependence for self-broadened CO2 lines in the 296 K- 1250 K range by requantized classical molecular dynamics simulations The j and k dependencies of N2-, O2-, and air-broadened halfwidths of the CH3CN molecule Impacts of scattering plane randomization on lidar multiple scattering polarization signals from water clouds Stark broadening of Sn II spectral lines
×
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