首页> 外文期刊>The Journal of Chemical Physics >Vibrorotational Raman and infrared spectra of polar diatomic molecules in inert solutions. II. Rotational spectroscopy of HCl in liquid SF_6
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Vibrorotational Raman and infrared spectra of polar diatomic molecules in inert solutions. II. Rotational spectroscopy of HCl in liquid SF_6

机译:惰性溶液中极性双原子分子的振动旋转拉曼光谱和红外光谱。二。 SF_6液体中HCl的旋转光谱

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摘要

The non-Markovian spectral theory presented in the preceding paper is applied to the calculation of the pure rotational spectroscopy of HCl in liquid SF_6 and its comparison with available experimental far-infrared and anisotropic S-branch results. A quantitative and qualitative study of memory and interference effects on the overall infrared and anisotropic Raman spectra has been carried out. The relation of these effects to the time scales of the dephasing processes and the strong cancellation effects between interbranch and intrabranch mixing are especially stressed. The statistical parameters required for the theoretical calculation of the profiles have been obtained from a microscopic extended cell model for the liquid.
机译:前文提出的非马尔可夫光谱理论被用于计算液体SF_6中HCl的纯旋转光谱,并将其与现有的实验远红外和各向异性S分支结果进行比较。已对整个红外光谱和各向异性拉曼光谱的记忆和干涉效应进行了定量和定性研究。这些影响与移相过程的时间尺度之间的关系,以及分支间和分支内混合之间强烈的抵消作用尤为突出。轮廓的理论计算所需的统计参数已从液体的微观扩展单元模型中获得。

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