Comprehensive ro–vibrational analysis of di–deuterated hydrogen sulfide in the region of the ν2, 2ν2 and [formula omitted] bands: The D232S, D234S, and D233S isotopologues

Abstract

High–resolution infrared spectra of the D2S molecule were experimentally recorded with a Bruker IFS 125HR Fourier transform infrared spectrometer and theoretically analyzed in the region of 700 – 1800 cm−1, where the ν2 and 2ν2 bands are located. For the first time, transitions were assigned to the 2ν2 and 2ν2−ν2 bands of the D232S and D234S isotopologues. For the ground vibrational state and the ν2 band of D234S, the spectral information was considerably extended in comparison with preceding works. For the first time, transitions belonging to the rare D233S hydrogen sulfide species were assigned to the ν2 and 2ν2 bands, as well as a rotational structure of the ground vibrational state of D233S was determined on the basis of experimental values of the ground state combination differences (maximum values of quantum numbers for used ground state combination differences were Jmax=19,Kamax=8,ΔJmax=2,ΔKamax=2). Sets of spectroscopic parameters of the Watson hamiltonian in A−reduction and Ir−representation was determined for the (010) and (020) vibrational states of all three discussed species and for the ground vibrational states of D234S and D233S from the weighted fit of parameters of this hamiltonian. The drms of reproduction of the initial experimental data for all nine vibrational states (three vibrational states for any species) is not far from 1×10−4 cm−1 which is close to experimental errors in line positions.