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首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Vibrational and valence photoelectron spectroscopies, matrix photochemistry, and conformational studies of ClC(O)SSCl
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Vibrational and valence photoelectron spectroscopies, matrix photochemistry, and conformational studies of ClC(O)SSCl

机译：ClC（O）SSCl的振动和价态光电子能谱，基质光化学和构象研究

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摘要

ClC(O)SSCl was prepared by an improved method by the reaction of [(CH _3)_2CHOC(S)]_2S with SO_2Cl_2 in hexane. The photoelectron spectra in the gas phase present four distinct regions, corresponding to ionizations from electrons formally located at the S, O, and Cl atoms and at the C=O bond. The vibrational IR and Raman spectra of the liquid were interpreted in terms of the most stable syn-gauche conformer (the O=C double bond syn with respect to the S-S single bond and the C-S single bond gauche with respect to the S-Cl single bond) in equilibrium with the less stable anti-gauche form, both occurring in two enantiomeric forms. The randomization process between the conformers was induced by broad-band UV-visible irradiation in matrix conditions, and several photoproducts were identified by FTIR spectroscopy. The experimental results were complemented by theoretical calculations.
机译：通过[（CH _3）_2CHOC（S）] _ 2S与SO_2Cl_2在己烷中的反应，通过改进的方法制备ClC（O）SSCl。气相中的光电子能谱具有四个不同的区域，分别对应于来自正式位于S，O和Cl原子以及C = O键的电子的电离。液体的振动IR和拉曼光谱用最稳定的顺式构象构象来解释（相对于SS单键为O = C双键syn，相对于S-Cl单键为CS单键树状与不稳定的抗gauche形式处于平衡状态，两者均以两种对映体形式存在。在基质条件下，宽带紫外可见辐射诱导了构象异构体之间的随机化过程，并通过FTIR光谱法鉴定了几种光产物。实验结果得到理论计算的补充。

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