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首页> 外文期刊>Zeitschrift fur Naturforschung, B. A Journal of Chemical Sciences >The crystal structure of Cs2S2O3 center dot H2O
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The crystal structure of Cs2S2O3 center dot H2O

机译：Cs2S2O3中心点H2O的晶体结构

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A reinvestigation of the alkali metal thiosulfates has led to the new phase Cs2S2O3 center dot H2O. At first cesium thiosulfate monohydrate was obtained as a byproduct of the synthesis of Cs4In2S5. Further investigations were carried out using the traditional synthesis reported by J. Meyer and H. Eggeling. Cs2S2O3 center dot H2O crystallizes in transparent, colorless needles. The crystal structure of the title compound was determined by single crystal X-ray diffraction at room temperature: space group C2/m (No. 12), unit cell dimensions: a = 11.229(4), b = 5.851(2), c = 11.260(5) angstrom, beta = 95.89(2)degrees, with Z = 4 and a cell volume of V = 735.9(5)angstrom(3). The positions of all atoms including the hydrogen atoms were located in the structure refinement. Cs2S2O3 center dot H2O is isotypic with Rb2S2O3 center dot H2O. Isolated tetrahedra [S2O3](2-) are coordinated by the alkali metal cations, and in addition they serve as acceptors for hydrogen bonding. For both Cs atoms the shortest distances are observed to oxygen atoms of the S2O32- anions where as the terminating sulfur atom has its shortest contacts to the water hydrogen atoms. Thus, an extended hydrogen bonding network is formed. The title compound has also been characterized by IR spectroscopy. IR spectroscopy reveals the vibrational bands of the water molecules at 3385 cm(-1). They show a red shift in the OH stretching and bending modes as compared to free water. This is due both to the S center dot center dot center dot H hydrogen bonding and to the coordination of H2O molecules to the cesium atoms.
机译：对碱金属硫代硫酸盐的重新研究导致了新的相Cs2S2O3中心点H2O。首先，获得硫代硫酸铯一水合物作为合成Cs4In2S5的副产物。使用J. Meyer和H. Eggeling报告的传统合成方法进行了进一步研究。 Cs2S2O3中心点H2O在透明的无色针中结晶。标题化合物的晶体结构在室温下通过单晶X射线衍射确定：空间群C2 / m（第12号），晶胞尺寸：a = 11.229（4），b = 5.851（2），c = 11.260（5）埃，β= 95.89（2）度，Z = 4，像元体积为V = 735.9（5）埃（3）。包括氢原子在内的所有原子的位置都在结构改进中。 Cs2S2O3中心点H2O与Rb2S2O3中心点H2O同型。分离的四面体[S2O3]（2-）由碱金属阳离子配位，此外它们还用作氢键的受体。对于这两个Cs原子，到S2O32-阴离子的氧原子的距离最短，因为末端的硫原子与水的氢原子的接触最短。因此，形成扩展的氢键网络。标题化合物也已通过IR光谱表征。红外光谱揭示了3385 cm（-1）处水分子的振动带。与游离水相比，它们在OH拉伸和弯曲模式下显示出红移。这是由于S中心点中心点中心点中心点H的氢键键合以及H2O分子与铯原子的配位。

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