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High-resolution far-infrared spectroscopy and analysis of the v3 and v6 bands of chloromethane

Journal of Quantitative Spectroscopy and Radiative Transfer(2023)

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摘要
Ro-vibrational spectra of the v3 and v6 bands of chloromethane (CH3Cl) were recorded in the 650-1130 cm-1 range using a Fourier transform spectrometer at the AILES beamline of the SOLEIL synchrotron facility. Two isotopologues (CH353Cl and CH37 3 Cl) have been analyzed with the tensorial formalism developed in Dijon and a total of 6753 lines were assigned. We derived 23 tensorial parameters for the lines positions (4 for the ground state, 6 for v3, and 13 for v6), and 7 for the lines intensities (4 for v3, 3 for v6). From those parameters and self-broadening coefficients found in the literature, we simulated spectra of both isotopologues. The derived parameters were converted in the Watson formalism to be compared with a previous study. Using these results, we set up a new database of calculated chloromethane spectral lines (ChMeCaSDa).
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关键词
Chloromethane, High-resolution infrared spectroscopy, Line positions, Tensorial formalism
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