First analysis of the high resolution FTIR spectrum of the nu2 band of the FCO2 radical at 970.2 cm-1.

Agnes Perrin (1) , Helmut Beckers (2) , Helge Willner (3) , Michal Strizik (4) , Zdenek Zelinger (5) , Petr Pracna (5) , Eva Grigorova (4) , Vaclav Nevrly (6)

1 UPEC UP12 - Université Paris-Est Créteil Val-de-Marne - Paris 12
2 Bergische Universität Wuppertal
3 FBC
4 Univ Ostrava
5 J. Heyrovsky institute of Physical Chemistry
6 VSB - Technical University of Ostrava [Ostrava]

The infrared spectrum of the fluorocarboxyl radical, FCO2, was recorded at high resolution (0.0035 cm−1) in the 600−1400 cm−1 region on a Bruker IFS 120 HR Fourier transform spectrometer of the University of Wuppertal. The analysis of the A-type nu2 band of FCO2 (CF stretching mode) centred at 970.208 cm−1 was performed taking use of the ground state parameters achieved by Kolesnikova et al. [Kolesnikova L, Varga J, Beckers H, Simeckova M, Zelinger Z, Nova Striteska L, Kania P, Willner H, Urban S. J. Chem. Phys. 128, 2008, pp. 224302-1-8]. For the FCO2 radical, the nu2 transitions are, in principle, splitted into two spin - rotation subcomponents corresponding to J= N +/-1/2. However the spin- rotation parameters in the 21 vibrational state have values similar to those of the ground state, and spin-rotation doublings are observable only for the weaker transitions involving medium Ka or Kc values in the P and R branches. The nu2 fundamental band is weakly perturbed by the 2nu5 dark overtone band at 965.4 cm−1 and the 21 and 52 energy levels of FCO2 are coupled through Fermi type resonances. The final energy level calculation was performed accounting both for the spin -rotation interaction within the 21 and 52 vibrational states, and the 21 <=> 52 Fermi-type resonances.

Mots clés: Physical Sciences

Agnes Perrin, Helmut Beckers, Helge Willner, Michal Strizik, Zdenek Zelinger, et al.. First analysis of the high resolution FTIR spectrum of the nu2 band of the FCO2 radical at 970.2 cm-1.. Molecular Physics, 2010, 108 (06), pp.723-731. ⟨10.1080/00268970903514579⟩. ⟨hal-00588659⟩