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 , Keeyoon Sung , Andrei V. Nikitin , Michael Rey , 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 , Keeyoon Sung , Andrei V. Nikitin , Michael Rey , 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}
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.
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.