首页> 外文期刊>Journal of Molecular Spectroscopy >Measurements of line intensities and determination of transition moment parameters from experimental data for the nu(1) and nu(3) bands of (D2S)-S-32
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Measurements of line intensities and determination of transition moment parameters from experimental data for the nu(1) and nu(3) bands of (D2S)-S-32

机译:从(D2S)-S-32的nu(1)和nu(3)波段的实验数据测量线强度并确定过渡力矩参数

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摘要

First measurements of line intensities for nu(1) and nu(3) bands of (D2S)-S-32 are reported. About 300 intensities of (D2S)-S-32 vibration-rotation lines were obtained from experimental high-resolution spectra recorded in the 1810-2051 cm(-1) region with the Fourier Transform Spectrometer built in Reims. Empirical values of transition moment parameters for nu(1) and nu(3) bands of (D2S)-S-32 were determined for the first time using a least-square fit to the observed intensities. Experimental (D2S)-S-32 intensities were compared with recent global Variational predictions [VI.G. Tyuterev, L. Regalia-Jarlot, DW Schwenke, S.A. Tashkun, Y.G. Borkov, C. R. Phys. 5 (2004) 189-199] computed from isotopically invariant potential and dipole moment functions of the hydrogen sulphide molecule. Average discrepancy between these calculations and our observed data was 0.03 cm(-1) for line positions of this spectral range. The discrepancy between these calculations and our measurements for the sum of line intensities was 5.5% and 3.5% for the nu(1) and nu(3) bands, correspondingly. (c) 2008 Elsevier Inc. All rights reserved.
机译:报告了(D2S)-S-32的nu(1)和nu(3)谱线的线强度的首次测量。使用兰斯(Reims)内置的傅立叶变换光谱仪,从记录在1810-2051 cm(-1)区域的实验高分辨率光谱中获得了大约300条强度的(D2S)-S-32振动-旋转线。 (D2S)-S-32的nu(1)和nu(3)波段的过渡矩参数的经验值是使用与所观察到的强度的最小二乘拟合首次确定的。实验(D2S)-S-32强度与最近的全球变化预测进行了比较[VI.G. Tyuterev,L.Regalia-Jarlot,DW Schwenke,S.A. Tashkun,Y.G. Borkov C.R.Phys。 5(2004)189-199]从硫化氢分子的同位素不变势和偶极矩函数计算。这些计算与我们观察到的数据之间的平均差异对于该光谱范围的线位置为0.03 cm(-1)。这些计算与我们对nu(1)和nu(3)谱线的线强度总和的测量结果之间的差异分别为5.5%和3.5%。 (c)2008 Elsevier Inc.保留所有权利。

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