A new treatment of the 2ν3 (A1) infrared band of methyl bromide CH3Br around 1213 cm−1
| Autor: | Hamid Najib |
|---|---|
| Rok vydání: | 2020 |
| Předmět: |
Materials science
010304 chemical physics Infrared Infrared spectroscopy Rotational–vibrational spectroscopy 010402 general chemistry 01 natural sciences Atomic and Molecular Physics and Optics 0104 chemical sciences chemistry.chemical_compound chemistry Bromide Excited state 0103 physical sciences Isotopologue Physical and Theoretical Chemistry Fourier transform infrared spectroscopy Atomic physics Ground state Spectroscopy |
| Zdroj: | Journal of Molecular Spectroscopy. 370:111297 |
| ISSN: | 0022-2852 |
| DOI: | 10.1016/j.jms.2020.111297 |
| Popis: | The high-resolution Fourier transform infrared spectrum of methyl bromide CH3Br has been reinvestigated in the v3 = 2 vibrational excited state around 1213 cm−1, for both 79Br and 81Br isotopologues. Thanks to new accurate K-dependent and J-dependent ground state parameters, up to sextic centrifugal distortion constants, 420 new infrared transitions of the 2ν3 rovibrational band have been assigned for CH379Br and CH381Br, extending the rotational quantum number values up to Kmax = 15 and Jmax = 60. For each isotopic species, a standard deviation of 2 × 10−4 cm−1 has been obtained for about 700 lines of 2ν3. The new parameter values of the v3 = 2 excited state are in good agreement with ones determined previously by infrared spectroscopy, but significantly more accurate. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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