Rotational spectroscopy update for the newly identified atmospheric ozone depleter CF3CCl3
| Autor: | Zbigniew Kisiel, Marek Jaworski, E. Białkowska-Jaworska, Iciar Uriarte, Lech Pszczółkowski, Emilio J. Cocinero, Francisco J. Basterretxea |
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| Rok vydání: | 2018 |
| Předmět: |
Materials science
010304 chemical physics Anharmonicity 010402 general chemistry 01 natural sciences Atomic and Molecular Physics and Optics 0104 chemical sciences 0103 physical sciences Isotopologue Supersonic speed Physics::Atomic Physics Rotational spectroscopy Physical and Theoretical Chemistry Atomic physics Spectroscopy Hyperfine structure Astrophysics::Galaxy Astrophysics Atmospheric ozone Millimetre wave |
| Zdroj: | Journal of Molecular Spectroscopy. 352:1-9 |
| ISSN: | 0022-2852 |
| DOI: | 10.1016/j.jms.2018.07.005 |
| Popis: | The pure rotational spectrum of CF3CCl3 (1,1,1-trichloro-2,2,2-trifluoroethane, CFC-113a) was investigated at 4–18 GHz in supersonic expansion with chirped pulse and cavity Fourier-transform rotational spectroscopy, and at 94–309 GHz with broadband millimetre wave spectroscopy. Spectroscopic constants for all four possible chlorine isotopic species have been considerably updated. Global fits of hyperfine-resolved and hyperfine-unresolved data are reported and triple chlorine nucleus hyperfine structure has been analysed for all four isotopologues to within experimental accuracy. The new measurements have been augmented with anharmonic force field calculations in an evaluation of the semi-experimental equilibrium geometry for CF3CCl3. Interactions between hyperfine sublevels contributing to frequencies of the lowest J transitions allowed determination of the axial rotational constant A = 1326.24(15) MHz for CF3C35Cl3 from analysis of pure rotational transitions. |
| Databáze: | OpenAIRE |
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