X-Ray Crysatllographic and Vibrational Spectroscopic Studies of Thorium Bromate Hydrate
X-Ray Crysatllographic and Vibrational Spectroscopic Studies of Thorium Bromate Hydrate
复制标题
DOI：
10.4236/csta.2013.22010
复制
发表时间：
2013-06
期刊：
影响因子：
--
通讯作者：
M. J. Bushiri;T. C. Kochuthresia;S. Athimoolam;V. Ramakrishnan;V. Vaidyan
中科院分区：
文献类型：
--
作者：
M. J. Bushiri;T. C. Kochuthresia;S. Athimoolam;V. Ramakrishnan;V. Vaidyan
在室温下从其水溶液中生长出Th（BrO 3）3·H2O单晶。采用单晶X射线衍射、拉曼光谱和红外光谱等技术对其晶体结构进行了表征。用Patterson方法求解了晶体结构。晶体属单斜晶系，空间群为P21/c。晶胞参数为a = 12.8555（18）？，B = 7.8970（11）？，c = 9.0716（10）？，α = 90°，β = 131.568°，γ = 90°，晶胞体积为689.1（2）？3. Z = 8，R因子为5.9。拉曼光谱和红外光谱研究表明，溴酸根阴离子的对称性从C3 V降低到C1。晶体中存在强度不同的氢键。晶体的中心对称空间群为P21/c，大部分拉曼谱带和红外谱带不重合。
Th(BrO3)3·H2O single crystals were grown from its aqueous solution at room temperature. Single crystal XRD, Raman and FTIR techniques were used to investigate the crystal structure. The crystal structure was solved by Patterson method. The as grown crystals are in monoclinic system with space group P21/c. The unit cell parameters are a = 12.8555(18) ?, b = 7.8970(11) ?, c = 9.0716(10)?, α = 90°, β = 131.568° and γ = 90° and unit cell volume is 689.1(2)?3. Z = 8, R factor is 5.9. The Raman and FTIR studies indicate the lowering of symetry of bromate anion from C3V to C1. Hydrogen bonds with varying strengths are present in the crystal. The centrosymmetric space group P21/c of the crystal is confirmed by the non-coincidence of majority of Raman and IR bands.