High resolution Fourier transform spectra of the HDS molecule were recorded and analyzed for the first time in the region of the bands ν1 + 2ν2 (3938.6 cm-1), ν1 + ν3 (4522.6 cm-1), 2ν2 + ν3 (4638.8 cm-1), 2ν1 + ν2 (4767.7 cm-1), ν1 + ν2 + ν3 (5525.2 cm-1), 3ν1 (5560.6 cm-1), ν1 + 2ν3 (7047.2 cm-1), and 2ν2 + 2ν3 (7123.9 cm-1). The ro-vibrational energies of the upper vibrational states of these bands together with the ro-vibrational energies of 12 other bands already studied at high resolution were used as inputs in a Global Fit analysis firstly described in [O.N. Ulenikov, G.A. Onopenko, H. Lin, J.-H. Zhang, Z.-Y. Zhou, Q.-S. Zhu, R.N. Tolchenov, J. Mol. Spectrosc. 189 (1998) 29-39]. In this case, the resonance interactions between the states (v1 v2 v3) and (v1 ± 2 v2 ∓ 1 v3 ∓ 1) were taken into account. The resulting set of 143 parameters reproduces all the experimental data (2984 vibration-rotation energies of 20 vibrational states which correspond to about 9700 ro-vibrational transitions with Jmax = 23) with accuracies comparable with the experimental uncertainties.
ASJC Scopus subject areas
- Atomic and Molecular Physics, and Optics
- Physical and Theoretical Chemistry