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首页> 外文期刊>Quimica nova >TITANYL SULPHATE, AN INORGANIC POLYMER: STRUCTURAL STUDIES AND VIBRATIONAL ASSIGNMENT
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TITANYL SULPHATE, AN INORGANIC POLYMER: STRUCTURAL STUDIES AND VIBRATIONAL ASSIGNMENT

机译:硫酸钛,无机聚合物:结构研究和振动分配

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In this work, anhydrous titanyl sulfate (TiOSO4) was synthesized and characterized by elemental analyses and vibrational spectroscopy by the first time. In order to verify the stability of the crystallographic structure reported in the literature, an optimization calculation of the unit cell geometry was done with the CRYSTAL17 software, and the agreement with the experimental results was very good. Raman, infrared and far infrared spectra were obtained, the bands having been tentatively assigned, based on literature data for similar systems. Essentially, the spectra exhibit the vibrational modes of the sulfate anion splitted by the low local symmetry along with the bands of the TiO6 skeleton. The Raman spectra shows two intense bands, tentatively assigned to Ti-O modes.
机译:在这项工作中,通过元素分析和振动光谱合成了无水硫酸钛(Tioso4)并发表征第一次。为了验证文献中报告的晶体结构的稳定性,用晶体17软件进行单位电池几何的优化计算,与实验结果的协议非常好。获得拉曼,红外线和远红外光谱,基于类似系统的文献数据暂时分配的带。基本上,光谱表现出由低局部对称分离的硫酸盐阴离子的振动模式以及TiO6骨架的带。拉曼光谱显示两个强烈的频带,暂时分配给Ti-O模式。

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