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 , S. Béguier , M. Rey , L. Manceron , 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 , S. Béguier , M. Rey , L. Manceron , 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}
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 ν5+ν9 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 %.
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.