Rovibrational spectroscopy of the ν2=1, ν3=1, and ν2=ν3=1 levels of CDF3

Abstract

The high-resolution FTIR spectra of deuterofluoroform (CDF3) at essentially Doppler-limited resolution of 2.5×10−3cm−1 were studied in the regions of the ν2 (1111cm−1) and ν3 (694cm−1) fundamental and the ν2+ν3 (1802cm−1) combination bands. The analysis of the two fundamental bands performed simultaneously with available submillimeter wave data leads to a significant improvement of spectroscopic constants with respect to those from previous studies with lower resolution. The assignments in the ν2+ν3 combination band were checked with the assistance of the (ν2+ν3)−ν2 and (ν2+ν3)−ν3 hot bands, which all were assigned for the first time. The rovibrational analyses were done in the approximation of isolated vibrational levels, reproducing the experimental data within the experimental accuracy in case of the ν2=1 and ν3=1 levels, but leaving some local perturbations in the ν2=ν3=1 level that cannot yet be quantitatively explained.