High resolution FTIR spectroscopy of CH2DF: analysis of the v 3 and v 4 interacting bands |
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Authors: | A. BALDACCI R. VISINONI G. NIVELLINI |
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Affiliation: | 1. Università di Venezia, Dipartimento di Chimica Fisica , D. D. 2137, I-30123 , Venezia , Italy;2. Università di Bologna, Dipartimento di Chimica Fisica e Inorganica , Viale del Risorgimento 4, I-40136 , Bologna , Italy |
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Abstract: | The high resolution (0.004cm?1) Fourier transform infrared spectrum of the monodeuterated form of methyl fluoride, CH2DF, has been recorded and analysed in the v 3 and v 4 band region around 1420cm?1. Both bands, coming from A′ symmetry vibrations, have a/b hybrid character, although in v 3 the b-type component prevails over the a-type. The rotational structure has been analysed using a dyad model including c-type Coriolis coupling and high order vibrational resonance between these states. Accurate upper state molecular parameters and interaction terms have been obtained by fitting about 3270 assigned transitions to Watson's A-reduced Hamiltonian in the Ir representation. In addition, from a simultaneous fit of ground state combination differences coming from this analysis and 42 literature microwave transitions, an improved and more complete set of ground state constants, including three new sextic centrifugal distortion terms (ΦJK, ΦKJ and ΦK), has been derived. |
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