Structural Study of Amorphous Tellurium(II) Halides TeCl2-xIx (x = 0.5, 0.1): X-ray Diffraction and Reverse Monte Carlo Simu

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• 作者：Nikolay Zotov ; Johannes Beck ; Bä ; rbel Knopp ; Armin Kirfel
• 刊名：Inorganic Chemistry
• 出版年：2007
• 出版时间：May 14, 2007
• 年：2007
• 卷：46
• 期：10
• 页码：4286 - 4292
• 全文大小：280K
• 年卷期：v.46,no.10(May 14, 2007)
• ISSN：1520-510X

文摘

The addition of small amounts of iodine to thermodynamically instable TeCl₂ yields amorphous, glassy tellurium(II)halides TeCl_2-xI_x (0.1 < x < 0.5), which were prepared by rapid quenching of melts with the respective compositions.At ambient temperature, these glassy solids are sufficiently stable to be handled and investigated by analyticalmethods. High-energy X-ray diffraction and reverse Monte Carlo simulations of two compositions TeCl_2-xI_x, x =0.1 and 0.5, show that these glasses are made up of structural fragments that are present in both tellurium tetrahalidesand in low-valent tellurium subhalides. In both glasses, the Te-Te bonding shows narrow coordination distributionwith a mean total coordination number for the Te atoms of 4.1 ± 1.3 and a mean Te-Te coordination number of0.7 ± 0.7. Accordingly, the mean Cl-Te coordination number is 1.7 ± 0.8 and the mean I-Te coordination numberis 1.6 ± 0.7. The medium-range order increases with increasing iodine content.