The FTIR spectra of CH2ClF (natural isotopic mixture) and CH37 2 ClF (isotopically enriched sample) were investigated in the 5 and 26 region between 700 and 800 cm1 at a resolution of 0.004 cm1. The 5 and 26 vibrations of A0 symmetry give rise to a/b hybrid bands with a very predominant a-type component. Due to the proximity of their band origins, the v5¼1 and v6¼2 levels perturb each other by Fermi and Coriolis resonances. The interaction mechanisms, previously investigated in the rotational spectra of CH35 2 ClF, were extended to the less abundant isotopic species CH37 2 ClF and to higher J and Ka values in the main isotopologue. The spectral analysis resulted in the identification of 4188 and 5392 transitions for CH35 2 ClF and CH37 2 ClF, respectively. All the assigned data were simultaneously fitted using the Watson’s A-reduction Hamiltonian in the Ir representation and perturbation operators. Excited state parameters, band origins and coupling terms for the 5/26 dyad of both isotopologues were determined.
Stoppa P., Baldacci A., Pietroplli Charmet A., Tasinato N., Giorgianni S., Canè E., et al. (2013). High resolution FTIR spectroscopy of chlorofluoromethane near 13 micrometri: rovibrational analysis and resonances of nu5 and 2nu6 bands in CH235ClF and CH237ClF. MOLECULAR PHYSICS, 111, 525-534 [10.1080/00268976.2012.729865].
High resolution FTIR spectroscopy of chlorofluoromethane near 13 micrometri: rovibrational analysis and resonances of nu5 and 2nu6 bands in CH235ClF and CH237ClF
CANE', ELISABETTA;NIVELLINI, GIAN DOMENICO
2013
Abstract
The FTIR spectra of CH2ClF (natural isotopic mixture) and CH37 2 ClF (isotopically enriched sample) were investigated in the 5 and 26 region between 700 and 800 cm1 at a resolution of 0.004 cm1. The 5 and 26 vibrations of A0 symmetry give rise to a/b hybrid bands with a very predominant a-type component. Due to the proximity of their band origins, the v5¼1 and v6¼2 levels perturb each other by Fermi and Coriolis resonances. The interaction mechanisms, previously investigated in the rotational spectra of CH35 2 ClF, were extended to the less abundant isotopic species CH37 2 ClF and to higher J and Ka values in the main isotopologue. The spectral analysis resulted in the identification of 4188 and 5392 transitions for CH35 2 ClF and CH37 2 ClF, respectively. All the assigned data were simultaneously fitted using the Watson’s A-reduction Hamiltonian in the Ir representation and perturbation operators. Excited state parameters, band origins and coupling terms for the 5/26 dyad of both isotopologues were determined.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
