First high-resolution analysis of theν2+ν6band of the cis-C2H2D2 isotopologue of ethylene
| Autor: | C. Sydow, Elena Sergeevna Bekhtereva, O.N. Ulenikov, Yu. V. Konova, Olga Vasilievna Gromova, Sigurd Bauerecker |
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| Rok vydání: | 2019 |
| Předmět: |
High resolution analysis
Physics Radiation Ethylene 010504 meteorology & atmospheric sciences Infrared 01 natural sciences Atomic and Molecular Physics and Optics chemistry.chemical_compound symbols.namesake chemistry symbols Isotopologue Atomic physics Hamiltonian (quantum mechanics) Spectroscopy 0105 earth and related environmental sciences |
| Zdroj: | Journal of Quantitative Spectroscopy and Radiative Transfer. 233:99-109 |
| ISSN: | 0022-4073 |
| DOI: | 10.1016/j.jqsrt.2019.05.019 |
| Popis: | The high–resolution infrared spectrum of C2H2D2-cis was recorded for the first time and analyzed in the region of 2400–2700 cm − 1 , where the ν 2 + ν 6 band is located. 1987 transitions were assigned to the ν 2 + ν 6 band and 623 ro–vibrational energies of the ( v 2 = v 6 = 1 ) vibrational state were determined from the assigned transitions. Parameters of the effective Hamiltonian were determined from the weighted fit, which takes into account the studied ( v 2 = v 6 = 1 ) vibrational state and six other closely located (but experimentally here not visible) vibrational states of C2H2D2-cis. The obtained “experimental” energy values were used as initial information in the fit. Determined from the fit, a set of 95 parameters reproduces 623 initial energy values of the ( v 2 = v 6 = 1 ) vibrational state, representing 1987 line positions of the ν 2 + ν 6 band with the d rms = 3.98 × 10 − 3 cm − 1 . |
| Databáze: | OpenAIRE |
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