Rovibrational spectra of DCF3 in the 1000cm−1 region: The ν5=1 and ν6=2 levels revisited

Abstract:

The degenerate fundamental vibrational level v5 = 1 (975.51 cm 1, E symmetry) and the overtone vibrationallevel v6 = 2 (1004.06/1005.98 cm 1, A1 + E symmetry) were reinvestigated with inclusion of theirinter-vibrational couplings: the anharmonic Fermi interaction (DK ¼ 0, RtDlt ¼ Dl5 þ Dl6 ¼ 3), the second-order Coriolis resonance (DK ¼ 1, RtDlt ¼ 1), and the second-order a-resonance (DK ¼ 2,RtDlt ¼ 1). This required significant extension of assignments to high J and K rotational states whereresonant crossings due to the latter two interactions occur. The newly assigned data from Fourier-transformIR spectroscopy were combined with rotational and laser-sideband rovibrational data pertaining tothe v5 = 1 vibrational level, which were used already in a previous analysis, in a fully quantitative simultaneousfit.

Notes:

n/a