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First high resolution study of the pentad bending bands of deuterated silane: Energy structure of the (0200), (0101) and (0002) vibrational states of 28SiD4, 29SiD4 and 30SiD4
Journal of Quantitative Spectroscopy and Radiative Transfer ( IF 2.3 ) Pub Date : 2021-07-30 , DOI: 10.1016/j.jqsrt.2021.107856
O.N. Ulenikov , O.V. Gromova , E.S. Bekhtereva , N.I. Raspopova , A.V. Kuznetsov , C. Leroy , C. Sydow , S. Bauerecker

The infrared spectra of SiD4 in natural abundance were measured in the region of 350–2050 cm1 with a Bruker IFS 125HR Fourier transform interferometer at an optical resolution of 0.0021 and 0.0016 cm1 and analyzed. Not less than 6490 transitions with Jmax = 33 were assigned for the first time to the bands 2ν4, ν2+ν4, and 2ν2 of the 28SiD4 molecule. Numerous “hot” dyad–pentad transitions (in general, 5545 “hot” transitions) were also assigned for the first time in the region of 600–760 cm1. Rotational, centrifugal distortion, tetrahedral splitting, and interaction parameters for the (0002,F2), (0002,E), (0002,A1), (0101,F2), (0101,F1), (0200,A1) and (0200,E) vibrational states were determined from the fit of experimental line positions. The obtained set of 69 fitted parameters reproduces the initial experimental data with an accuracy of drms=3.12×104 cm1 for the 6490 “cold” transitions and drms=2.33×104 cm1 for the 5545 “hot” transitions. Results of the analogues analysis for the 29SiD4 and 30SiD4 isotopologues with 403/136 “cold” and 171/99 “hot” assigned transitions are presented also.



中文翻译:

第一次对氘代硅烷五元组弯曲带的高分辨率研究:28 SiD 4 、29 SiD 4 和 30 SiD 4 的 (0200)、(0101) 和 (0002) 振动态的能量结构

SiD的红外光谱4 在 350-2050 cm 区域测量了自然丰度-1 使用 Bruker IFS 125HR 傅立叶变换干涉仪,光学分辨率为 0.0021 和 0.0016 cm-1并进行了分析。不少于 6490 次转换J最大限度 = 33 人第一次被分配到乐队 2ν4, ν2+ν4, 和 2ν228硅酸盐4分子。在 600-760 cm 范围内还首次分配了许多“热”二元组-五单元组跃迁(通常为 5545 个“热”跃迁)-1. 旋转、离心变形、四面体分裂和相互作用参数(0002,F2), (0002,), (0002,一种1), (0101,F2), (0101,F1), (0200,一种1)(0200,)振动状态由实验线位置的拟合确定。获得的 69 个拟合参数集以精度为d均方根=3.12×10-4 厘米-1 对于 6490“冷”转换和 d均方根=2.33×10-4 厘米-1对于 5545 “热”转换。类似物分析的结果29硅酸盐430硅酸盐4 还提供了具有 403/136“冷”和 171/99“热”指定跃迁的同位素体。

更新日期:2021-08-05
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