Ro–vibrational analysis of the 12C2H2D2-cis molecule spectra in the region of 1150–1450 cm−1: The ν12, ν3, 2ν10 and ν8+ν10 bands
| Autor: | Olga Vasilievna Gromova, Sigurd Bauerecker, Elena Sergeevna Bekhtereva, O.N. Ulenikov, A.N. Kakaulin, Yu. V. Konova, C. Sydow |
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| Rok vydání: | 2020 |
| Předmět: |
Physics
Radiation 010504 meteorology & atmospheric sciences Infrared spectroscopy Quantum number 01 natural sciences Molecular physics Atomic and Molecular Physics and Optics Spectral line symbols.namesake symbols Molecule High resolution spectra Hamiltonian (quantum mechanics) Spectroscopy 0105 earth and related environmental sciences |
| Zdroj: | Journal of Quantitative Spectroscopy and Radiative Transfer. 250:107021 |
| ISSN: | 0022-4073 |
| DOI: | 10.1016/j.jqsrt.2020.107021 |
| Popis: | High–resolution infrared spectra of the 12C2H2D2-cis molecule were analyzed in the region of 1150–1450 cm − 1 , where the strongly interacting ν12(B1), ν3(A1), 2ν10(A1) and ν 8 + ν 10 ( A 2 ) bands are located. For these four bands 5594 transitions with maximum values of quantum numbers J max = 50 and K a max = 21 were assigned. This number is more than 2.7 times higher than in previous studies; transitions of the ν3 and ν 8 + ν 10 bands have been assigned for the first time. The obtained information was used in the weighted fit with the goal to determine parameters of the effective Hamiltonian. The obtained set of 89 varied parameters reproduces the 1546 initial ro–vibrational energies (5594 transitions) with the d rms = 2.59 × 10 − 4 cm − 1 . A list of the assigned transitions is presented as the Supplementary material. |
| Databáze: | OpenAIRE |
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