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首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Intermolecular vibrational spectra of C _(3 v) CXY_3 molecular liquids, CHCl_3, CHBr_3, CFBr_3, and CBrCl_3
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Intermolecular vibrational spectra of C _(3 v) CXY_3 molecular liquids, CHCl_3, CHBr_3, CFBr_3, and CBrCl_3

机译：C _（3 v）CXY_3分子液体CHCl_3，CHBr_3，CFBr_3和CBrCl_3的分子间振动光谱

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摘要

We report the quality anisotropic intermolecular vibrational spectra within the frequency range 0.5-800 cm~(-1) of four C_(3v) CXY _3 molecular liquids, CHCl_3, CHBr_3, CFBr _3, and CBrCl_3, by means of femtosecond optical-heterodyne-detected Raman-induced Kerr effect spectroscopy. The results show that the first moment of the intermolecular vibrational spectrum is proportional to the square root of the value of the surface tension divided by the liquid density. This implies that the intermolecular vibrational spectrum reflects the bulk properties of the liquids. To understand the molecular-level aspects of the intermolecular vibrational spectra of the liquids, the spectra are compared with the molecular properties such as molecular weight, rotational constants, and bimolecular interaction energy. Overall, the first moment of the spectrum moderately correlates to the inverse square roots of both the molecular weight and the fast rotational constant. Therefore, the molecular properties are responsible for the intermolecular vibrational spectrum. Plots of the first moment of the intermolecular vibrational spectrum vs the square root of the value of the simple bimolecular interaction energy divided by the molecular surface area and the molecular weight show a linear correlation in the case of the oblate symmetric top molecular liquids, CHCl_3, CHBr_3, and CFBr_3. However, CBrCl_3, which is a prolate symmetric top molecular liquid, does not show the same correlation for the oblate molecular liquids.
机译：我们通过飞秒光学外差-报告了四种C_（3v）CXY _3分子液体CHCl_3，CHBr_3，CFBr _3和CBrCl_3在0.5-800 cm〜（-1）频率范围内的质量各向异性分子间振动光谱检测拉曼诱导的克尔效应光谱。结果表明，分子间振动谱的一阶矩与表面张力值的平方根除以液体密度成正比。这意味着分子间振动光谱反映了液体的整体性质。为了理解液体的分子间振动光谱的分子水平方面，将光谱与诸如分子量，旋转常数和双分子相互作用能的分子性质进行比较。总的来说，光谱的一阶矩与分子量和快速旋转常数的平方根成反比。因此，分子特性决定了分子间的振动光谱。在扁桃形对称顶部分子液体CHCl_3的情况下，分子间振动谱的第一矩与简单双分子相互作用能的值的平方根除以分子表面积和分子量的曲线图显示线性相关。 CHBr_3和CFBr_3。但是，CBrCl_3是扁长对称的顶部分子液体，与扁球形分子液体没有显示出相同的相关性。

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