Journal of Quantitative Spectroscopy and Radiative Transfer ( IF 2.3 ) Pub Date : 2020-05-22 , DOI: 10.1016/j.jqsrt.2020.107106 O.N. Ulenikov , E.S. Bekhtereva , O.V. Gromova , T. Ersin , C. Sydow , C. Maul , S. Bauerecker
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 where the ν2 and 2ν2 bands are located. For the first time, transitions were assigned to the 2ν2 and 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 ). Sets of spectroscopic parameters of the Watson hamiltonian in reduction and 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 cm which is close to experimental errors in line positions.
中文翻译:
全面RO-振动在的区域的二氘化的硫化氢的分析ν 2,2 ν 2和带:D 2 32 S,D 2 34 S和D 2 33 S同位素
D 2 S分子的高分辨率红外光谱通过Bruker IFS 125HR傅立叶变换红外光谱仪进行了实验记录,并在700 – 1800 cm范围内进行了理论分析其中ν 2和2 ν 2频带位于。首次,转换被分配到2 ν 2和D 2 32 S和D 2 34 S的同位素带。对于接地振动状态和ν 2 d的带2 34 S,光谱信息与前述作品比较是大大延长。首次,属于稀有d跃迁2个33小号硫化氢物种被分配到ν 2和2个ν 2条带,以及d的地面振动状态的旋转结构2 33S是根据基态组合差的实验值确定的(所用基态组合差的量子数最大值为 )。沃森哈密顿谱的光谱参数集减少和 根据该哈密尔顿参数的加权拟合,确定了所讨论的所有三个物种的(010)和(020)振动状态以及D 2 34 S和D 2 33 S的地面振动状态。所述d均方根为所有九个振动状态(任何物种3个振)的初始实验数据的再现是不是从远 厘米 这接近在线位置的实验误差。