O.N. Ulenikov , O.V. Gromova , E.S. Bekhtereva , N.I. Nikolaeva , X. Guan , C. Sydow , S. Bauerecker
{"title":"Line strength analysis of the 12CD4 infrared spectra in the pentad region","authors":"O.N. Ulenikov , O.V. Gromova , E.S. Bekhtereva , N.I. Nikolaeva , X. Guan , C. Sydow , S. Bauerecker","doi":"10.1016/j.jqsrt.2025.109453","DOIUrl":null,"url":null,"abstract":"<div><div>High accurate ro-vibrational spectra of <span><math><msup><mrow></mrow><mrow><mn>12</mn></mrow></msup></math></span>CD<span><math><msub><mrow></mrow><mrow><mn>4</mn></mrow></msub></math></span> were measured in the pentad region with a Bruker IFS125 HR Fourier transform infrared (IR) spectrometer at an optical resolution of 0.003 cm<sup>−1</sup> and different pressures and optical path-lengths. The analysis of 1264 experimental absolute transition strengths belonging to all nine ro-vibrational sub-bands of the <span><math><msup><mrow></mrow><mrow><mn>12</mn></mrow></msup></math></span>CD<span><math><msub><mrow></mrow><mrow><mn>4</mn></mrow></msub></math></span> pentad was performed using the Voigt profile to simulate the measured line shape and to determine experimental line intensities. A set of 10 parameters was obtained from the weighted fit analysis of experimental data in the frame of the model of an effective dipole moment operator of the <span><math><msup><mrow></mrow><mrow><mn>12</mn></mrow></msup></math></span>CD<span><math><msub><mrow></mrow><mrow><mn>4</mn></mrow></msub></math></span> pentad. The obtained set of 10 effective dipole moment parameters reproduces the initial 1264 absolute transition strengths with the d<span><math><mrow><msub><mrow></mrow><mrow><mtext>rms</mtext></mrow></msub><mo>=</mo><mn>4</mn><mo>.</mo><mn>52</mn><mtext>%</mtext></mrow></math></span>. A line list of the studied experimental ro-vibrational transitions up to <span><math><mrow><mi>J</mi><mo>≤</mo><mn>25</mn></mrow></math></span> is presented in the Supplementary data to this paper.</div></div>","PeriodicalId":16935,"journal":{"name":"Journal of Quantitative Spectroscopy & Radiative Transfer","volume":"341 ","pages":"Article 109453"},"PeriodicalIF":2.3000,"publicationDate":"2025-04-07","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/S0022407325001153","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
Abstract
High accurate ro-vibrational spectra of CD were measured in the pentad region with a Bruker IFS125 HR Fourier transform infrared (IR) spectrometer at an optical resolution of 0.003 cm−1 and different pressures and optical path-lengths. The analysis of 1264 experimental absolute transition strengths belonging to all nine ro-vibrational sub-bands of the CD pentad was performed using the Voigt profile to simulate the measured line shape and to determine experimental line intensities. A set of 10 parameters was obtained from the weighted fit analysis of experimental data in the frame of the model of an effective dipole moment operator of the CD pentad. The obtained set of 10 effective dipole moment parameters reproduces the initial 1264 absolute transition strengths with the d. A line list of the studied experimental ro-vibrational transitions up to is presented in the Supplementary data to this paper.
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.