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High–resolution study of the pentad bending triad region of silane: The 2ν2,ν2+ν4 and 2ν4 bands of 28SiH4,29SiH4 and 30SiH4
Journal of Quantitative Spectroscopy and Radiative Transfer ( IF 2.3 ) Pub Date : 2020-10-24 , DOI: 10.1016/j.jqsrt.2020.107406
O.N. Ulenikov , O.V. Gromova , E.S. Bekhtereva , N.I. Raspopova , K.B. Berezkin , C. Sydow , S. Bauerecker

The high resolution infrared spectra of SiH4were recorded with Bruker IFS120 and IFS125 HR Fourier transform infrared spectrometers at an optical resolution of 0.0021 and 0.0025 cm1and analyzed in the region of 1600–2100 cm1where the first bending overtone 2ν2,2ν4and combinational ν2+ν4bands are located. The number of 640/1114/2667 transitions with Jmax= 23 were assigned to the bands 2ν2(A1- and E-type sub–bands), 2ν4(A1-, E- and F2-type sub–bands) and ν2+ν4(F1- and F2-type sub–bands) of the 28SiH4molecule. The subsequent weighted fit of experimentally assigned transitions was made with the Hamiltonian model which takes the resonance interactions between seven vibrational states ((0200,A1),(0200,E),(0101,F1),(0101,F2),(0002,A1),(0002,E)and (0002,F2)) into account. As the result, a set of 73 fitted parameters was obtained which reproduces the initial 4421 experimental transitions with the drms=3.31×104 cm1. On the basis of the obtained results, 4940 hot transitions were assigned in the high resolution spectra of the Dyad region studied before. The corresponding analysis was made for the 29SiH4and 30SiH4isotopologues. A line list of 12,698 experimental transitions for both the “cold” and “hot” transitions of all three isotopologues is presented.



中文翻译:

硅烷的五单元组弯曲三单元区的高分辨率研究: 2ν2ν2+ν42ν4 的乐队 28硅氢429硅氢430硅氢4

SiH的高分辨率红外光谱4用布鲁克IFS120和IFS125 HR傅里叶变换红外光谱仪记录的光学分辨率为0.0021和0.0025 cm-1个并在1600–2100 cm范围内进行分析-1个第一个弯曲泛音在哪里 2ν22ν4和组合 ν2+ν4乐队位于。640/1114/2667转换的数量Ĵ最高= 23个被分配给乐队 2ν2一种1个-和 Ë型子频带), 2ν4一种1个-, Ë-和 F2型子频带)和 ν2+ν4F1个-和 F2型子带) 28硅氢4分子。通过哈密顿模型对实验分配的跃迁进行后续加权拟合,该模型采用了七个振动状态之间的共振相互作用(0200一种1个0200Ë0101F1个0101F20002一种1个0002Ë0002F2)。结果,获得了一组73个拟合参数,这些参数重现了初始4421实验过渡,其中d均方根=3.31×10-4 厘米-1个。根据获得的结果,在之前研究的Dyad区的高分辨率光谱中分配了4940个热转变。相应的分析是针对29硅氢430硅氢4同位素。给出了所有三种同位素分子的“冷”和“热”转变的12,698个实验转变的直线列表。

更新日期:2020-12-07
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