The Fourier transform infrared (FTIR) spectrum of vinyl fluoride, H2C=CHF, has been widely investigated in the region of the ν4+ν7combination band around 2800 cm−1at a resolution of 0.005 cm−1. This vibration of A' symmetry gives rise to an a/b-hybrid band with a predominant a-type component. The rovibrational structure is strongly perturbed and the analysis has been rather complicated since this combination band is involved at least in a seven-level interacting polyad, including the ν8+2ν10, 2ν8+ν10, 2ν7+ν9, ν7+ν8+ν12, ν5+ν9+ν10and ν7+ν10+ν12vibrational states. The study has been further complicated by the absence of transitions coming from the perturbers that were considered as dark states. The spectral analysis resulted in the identification of 936 transitions with J" ≤ 46 and Ka" ≤ 11, all belonging to the a-type component. Most of the assigned data have been fitted using the Watson's A-reduction Hamiltonian in the Irrepresentation and proper Coriolis perturbation operators. The model employed includes seven different resonances within a complex polyad resonant system and a set of spectroscopic constants for the ν4+ν7combination band, for the dark states, and Coriolis coupling coefficients have been determined.

FTIR spectrum of vinyl fluoride near 3.6 μm: rovibrational analysis of the ν4+ν7band and modelling Coriolis resonances in a seven-level polyad

Stoppa, P.
;
De Lorenzi, A.;Pietropolli Charmet, A.;Giorgianni, S.;TASINATO, Nicola;GAMBI, Alberto
2018-01-01

Abstract

The Fourier transform infrared (FTIR) spectrum of vinyl fluoride, H2C=CHF, has been widely investigated in the region of the ν4+ν7combination band around 2800 cm−1at a resolution of 0.005 cm−1. This vibration of A' symmetry gives rise to an a/b-hybrid band with a predominant a-type component. The rovibrational structure is strongly perturbed and the analysis has been rather complicated since this combination band is involved at least in a seven-level interacting polyad, including the ν8+2ν10, 2ν8+ν10, 2ν7+ν9, ν7+ν8+ν12, ν5+ν9+ν10and ν7+ν10+ν12vibrational states. The study has been further complicated by the absence of transitions coming from the perturbers that were considered as dark states. The spectral analysis resulted in the identification of 936 transitions with J" ≤ 46 and Ka" ≤ 11, all belonging to the a-type component. Most of the assigned data have been fitted using the Watson's A-reduction Hamiltonian in the Irrepresentation and proper Coriolis perturbation operators. The model employed includes seven different resonances within a complex polyad resonant system and a set of spectroscopic constants for the ν4+ν7combination band, for the dark states, and Coriolis coupling coefficients have been determined.
2018
116
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/10278/3703149
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