Ulenikov O N, Bekhtereva E S, Gromova O V, Morzhikova Yu B, Sydow C, Berezkin K, Maul C, Bauerecker S
Research School of High-Energy Physics, National Research Tomsk Polytechnic University, Tomsk 634050, Russia.
Research School of High-Energy Physics, National Research Tomsk Polytechnic University, Tomsk 634050, Russia.
Spectrochim Acta A Mol Biomol Spectrosc. 2022 Oct 15;279:121401. doi: 10.1016/j.saa.2022.121401. Epub 2022 May 18.
High resolution infrared spectra of CHD were recorded in the region of 550-1950 cm with a Bruker IFS125 HR Fourier transform infrared spectrometers and rotational structures of the five lowest strongly interacting ν, ν,ν,ν and ν bands were analyzed. The number of about 28000 transitions (4200/6800/5600/5000/6400 for the bands ν,ν,ν,ν and ν) with J = 40 and K = 20 were assigned to these five bands. The weighted fit of 3990 upper energy values obtained from the experimentally recorded transitions was made with a Hamiltonian which takes into account resonance interactions between all studied bands as well as with the sixth ν band which was considered in this case as a "dark" one. As the result of analysis, a set of 279 fitted parameters was obtained which reproduces the initial 3990 upper "experimental" ro-vibrational energy values with the d=1.7×10 cm; the initial nonsaturated, unblended and not very weak of 28000 assigned transitions are reproduced with the d=2.2×10 cm. Ground state parameters of the CHD molecule were improved as well.
使用布鲁克IFS125 HR傅里叶变换红外光谱仪在550 - 1950厘米区域记录了CHD的高分辨率红外光谱,并分析了五个最低的强相互作用ν、ν、ν、ν和ν带的转动结构。将约28000个J = 40且K = 20的跃迁(ν、ν、ν、ν和ν带分别为4200/6800/5600/5000/6400)归属到这五个带。对从实验记录跃迁中获得的3990个高能值进行加权拟合,使用了一个哈密顿量,该哈密顿量考虑了所有研究带之间的共振相互作用以及在此情况下被视为“暗”带的第六个ν带。分析结果得到了一组279个拟合参数,这些参数以d = 1.7×10厘米再现了最初的3990个“实验”转动振动能量值;最初的28000个已归属跃迁,不饱和、未混合且不太弱的情况以d = 2.2×10厘米再现。CHD分子的基态参数也得到了改进。