Absolute Line Intensities for the ? 6Band of H 2O 2
Absolute Line Intensities for the ? 6Band of H 2O 2
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的绝对线强度？
DOI：
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发表时间：
1999
期刊：
影响因子：
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通讯作者：
J. Flaud
中科院分区：
文献类型：
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作者：
S. Klee;M. Winnewisser;A. Perrin;J. Flaud
本文工作的目的是获得H2 O2分子ν 6带的可靠的绝对强度。之所以这样做，是因为文献中目前可用的不同ν 6带强度之间存在很大差异（A.佩兰A.瓦伦丁，J. - M.弗劳德角卡米佩雷湖Schriver，A. Schriver和P. Arcas，J. Mol.光谱1995. 171，358），（R. May，J. Quant. Radiat. 1991年转狱。45，267），and（R. L. Sams，个人通讯）。本文采用同时测量H2 O2的远红外吸收和ν 6吸收的方法。因此，在吉森观测到了H2 O2的傅里叶变换光谱，其光谱范围（370-1270 cm −1）涵盖了扭转-旋转带的R分支和ν 6带的P分支，分别出现在低波数和高波数处。根据低波数数据，通过使用Stark效应测量的永久H2 O2偶极矩计算的强度校准扭转-旋转带中观察到的扭曲，确定记录光谱期间电池中存在的H2 O2分压（A.佩林，J. - M.弗劳德角卡米佩雷河Schermaul，M. Winnewisser，J. Y. Mandin，V. Dana，M. Badaoui和J. Koput，J. Mol.光谱分析1996. 176，287-296）和[E. A. Cohen和H. M. Pickett，J. Mol.光谱分析1981. 87，582-583）。在高频范围内，这个H2 O2分压值被用来测量ν 6带的绝对谱线强度。最后，用我们以前工作中详细描述的理论方法拟合了ν 6带的谱线强度。利用这些关于谱线强度的新结果，以及我们先前获得的谱线位置参数，生成了ν 6带的新合成谱，导致在296 K下的总谱带强度为0.185 × 10 −16 cm −1 /（molecule.cm −2）。必须指出的是，新的谱线强度与之前由May和Sams进行的单独谱线强度测量的实验不确定性一致。
Abstract The purpose of this work was to obtain reliable absolute intensities for the ν 6 band of H 2 O 2 . It was undertaken because strong discrepancies exist between the different ν 6 band intensities which are presently available in the literature (A. Perrin, A. Valentin, J.-M. Flaud, C. Camy-Peyret, L. Schriver, A. Schriver, and P. Arcas, J. Mol. Spectrosc. 1995. 171, 358), (R. May, J. Quant. Radiat. Transfer 1991. 45, 267), and (R. L. Sams, personal communication). The method which was chosen in the present work was to measure simultaneously the far-infrared absorptions and the ν 6 absorptions of H 2 O 2 . Consequently, Fourier transform spectra of H 2 O 2 were recorded at Giessen in a spectral range (370–1270 cm −1 ) which covers both the R branch of the torsion–rotation band and the P branch of the ν 6 band which appear at low and high wavenumbers, respectively. From the low wavenumber data, the partial pressure of H 2 O 2 present in the cell during the recording of the spectra was determined by calibrating the observed absorptions in the torsion–rotation band with intensities computed using the permanent H 2 O 2 dipole moment measured by Stark effect (A. Perrin, J.-M. Flaud, C. Camy-Peyret, R. Schermaul, M. Winnewisser, J.-Y. Mandin, V. Dana, M. Badaoui, and J. Koput, J. Mol. Spectrosc. 1996. 176, 287–296) and [E. A. Cohen and H. M. Pickett, J. Mol. Spectrosc. 1981. 87, 582–583). In the high frequency range, this value of the partial pressure of H 2 O 2 was used to measure absolute line intensities in the ν 6 band. Finally, the line intensities in the ν 6 band were fitted using the theoretical methods described in detail in our previous works. Using these new results on line intensities together with the line position parameters that we obtained previously, a new synthetic spectra of the ν 6 band was generated, leading to a total band intensity of 0.185 × 10 −16 cm −1 /(molecule.cm −2 ) at 296 K. It has to be pointed out that the new line intensities agree to within the experimental uncertainties with the individual line intensity measurements performed previously by May and by Sams.