Rovibrational analysis of the ν4 and ν5+ ν9 bands of CHCl 2F

Abstract

The infrared spectrum of CHCl 2F has been measured with a new, very high resolution Fourier transform infrared spectrometer, the Bruker IFS 120 HR Zürich Prototype (ZP) 2001. The spectrum was recorded with a resolution of 0.0007 cm −1 in the range 600–2300 cm −1 at room temperature. The assignment of the rovibrational transitions has been carried out with the Giessen interactive Loomis–Wood program developed by Winnewisser et al. [J. Mol. Spectrosc. 136 (1989) 12] and the least squares adjustment has been performed with the Zürich wang program. The spectrum has been analyzed in the ν 4 region of CH 35Cl 2F ( ν ̃ 0=744.474 cm −1) and the ν 5+ ν 9 regions of CH 35Cl 2F ( ν ̃ 0=829.084 cm −1) and CH 35Cl 37ClF ( ν ̃ 0=825.027 cm −1) using an effective Hamiltonian. Both bands are important to understand the absorption behavior of the fluorochlorohydrocarbon CHCl 2F, important in the context of atmospheric pollution as well as in laser chemistry. Local perturbations have been identified in both bands. The results are discussed in relation to molecular parity violation in the case of the chiral isotopomer CH 35Cl 37ClF.