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首页> 外文期刊>Dalton transactions: An international journal of inorganic chemistry >Two new bismuth thiourea bromides: crystal structure, growth, and characterization
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Two new bismuth thiourea bromides: crystal structure, growth, and characterization

机译：两种新的溴化硫脲铋：晶体结构，生长和表征

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摘要

Crystals of two new bismuth thiourea bromides, bismuth trithiourea bromide (Bi[CS(NH_2)_2]_3Br_3, BTB) and bismuth protonated-hexathiourea bromide (Bi[CS(NH_2)_2H]6Br9, BHB), have been successfully grown from hydrobromic acid solution with different pH values by slow evaporation. Single crystal X-ray diffraction reveals that BTB is isostructural to its Cl-analog crystallizing in a monoclinic space group Cc with unit cell dimensions of a = 8.6238(7) ?, b = 12.2506(11) ?, c = 15.5040(13) ?, β = 90.7810(10)° and Z = 4. In contrast, BHB crystallizes in a trigonal space group R3c with unit cell dimensions of a = b = 12.748(17) ?, c = 40.45(11) ?, and Z = 6. The protonation of the thiourea in BHB is confirmed by the structure solution, IR and Raman spectroscopy. The UV diffuse reflection spectra clearly indicate that both of the two crystals have good optical transparency in the range below 2000 nm. Both compounds decompose above 190 °C, and BHB melts at around 140 °C while BTB possesses a phase transition at 145 °C as indicated by thermogravimetric (TG) and differential thermal analysis (DTA).
机译：从氢溴酸中成功地生长了两种新的溴化硫脲铋晶体，即三硫脲溴化铋（Bi [CS（NH_2）_2] _3Br_3，BTB）和质子化六硫脲溴化铋（Bi [CS（NH_2）_2H] 6Br9，BHB）的晶体。通过缓慢蒸发获得具有不同pH值的酸性溶液。单晶X射线衍射显示BTB在单斜空间群Cc中与其Cl-类似物结晶是同构的，其晶胞尺寸为a = 8.6238（7）α，b = 12.2506（11）β，c = 15.5040（13） β，β= 90.7810（10）°，Z =4。相反，BHB在一个三角形空间群R3c中结晶，其晶胞尺寸为a = b = 12.748（17）β，c = 40.45（11）β和Z ＝ 6。通过结构溶液，IR和拉曼光谱法证实了BHB中硫脲的质子化。 UV漫反射光谱清楚地表明，这两个晶体都在2000 nm以下的范围内具有良好的光学透明性。两种化合物均在190°C以上分解，BHB在140°C左右熔化，而BTB在145°C处具有相变，如热重（TG）和差热分析（​​DTA）所示。

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