Experimental and Ab Initio Studies of the HDO Absorption Spectrum in the 13165–13500 cm−1 Spectral Region

The Absorption Spectrum of HDO in the 16 300–16 670 and 18 000–18 350 cm−1 Spectral Regions

“…As a result of this normalization procedure, 71% of the measured line intensities could be compared within 20% with their predicted values. The total experimental intensity of the 2 2 ϩ 4 3 Ϫ5 cm Ϫ2 /atm), indicating that many transitions of this weak band were not detected. The 2 2 ϩ 4 3 band has exclusively a-type character, while the 1 ϩ 4 3 band has a hybrid character with a predicted a:b intensity ratio of 1:1.7.…”

“…Resonance interactions do not show regular behavior since in addition to the strong and well-traced Fermi-type interaction (6 -10), high-order anharmonic and rovibrational couplings between states with large difference of bending quantum numbers have been observed (2,3,9). These latter interactions seem to be even stronger in HDO compared to H 2 O molecule and its symmetric isotope species (11) The analysis of the HDO absorption spectrum has also proved that high-order anharmonic couplings are rather sensitive to the excitation of the bending mode.…”

The 5VOH Overtone Transition of HDO

“…Our previous reports have concerned the 4 3 (1), 2 ϩ 4 3 (2), and the 1 ϩ 3 3 and 2 2 ϩ 3 3 bands (3). We presently report the spectroscopic analysis of the 16 540 -17 055 cm Ϫ1 spectral region dominated by the 5 3 band. Note that we do not follow the recommendations of IUPAC and use the traditional labeling of the stretching vibration with 1 and 3 standing for the OD and OH stretching, respectively.…”

High-Resolution Fourier Transform Spectrum of HDO in the Region 6140–7040 cm−1

“…Because a detailed review of earlier contributions concerning the high-resolution spectroscopic studies of the HDO molecule has been presented in our recent paper (3), we omit it here and mention only (a) the papers by A. Campargue and his co-authors (6)(7)(8), which were devoted to the rotational analysis of highly excited vibrational states of the HDO molecule and published in 2000, and (b) excellent ab initio predictions of the rovibrational energies carried out by Partridge and Schwenke (9). As to the region near 1.4 µm studied in this work, it was first analyzed using a grating spectrometer with a medium resolution of about 0.2 cm −1 by Benedict et al (10), where transitions belonging to the ν 1 + ν 3 and 2ν 2 + ν 3 bands were recorded and upper energies were derived up to J max.…”