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首页> 外文期刊>Inorganic Chemistry Communications >A new alkaline-earth metal borate SrB3O4(OH)(3) center dot H2O with UV cutoffedge below 190 nm
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A new alkaline-earth metal borate SrB3O4(OH)(3) center dot H2O with UV cutoffedge below 190 nm

机译：一种新的碱土金属硼酸盐SRB3O4（OH）（3）中心点H2O，具有UV切换低于190 nm

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摘要

A new alkaline-earth metal borate SrB3O4(OH)(3) center dot H2O, has been successfully synthesized using the hydrothermal method. Single-crystal X-ray diffraction analysis reveals that it crystallizes in the centrosymmetric space group P2(1)/c, a = 6.249(4) angstrom, b = 11.459(6) angstrom, c = 8.749(5) angstrom, beta = 108.493(6)degrees, Z = 4. SrB3O4(OH)(3) center dot H2O contains infinite [B3O4(OH)(3)](2-) chains along the c axis direction extended by the B3O8 units with Sr2+ cations filling the space between these chains. There are inter-chain hydrogen-bonds leading to a compact 3D structure. SrB3O4 (OH)(3) center dot H2O possesses a large experimental band gap of 6.15 eV and a short wavelength cutoff edge lower than 190 nm (183 nm) as found by the UV-vis-NIR diffuse reflectance spectrum. The calculated band structure and the density of states of SrB3O4(OH)(3) center dot H2O suggest that its indirect energy gap is 5.76 eV which agrees with the experimental result. The thermal behavior and the IR spectrum of SrB3O4(OH)(3) center dot H2O are also reported in this work. (C) 2018 Elsevier B.V. All rights reserved.
机译：新的碱土金属硼酸盐SRB3O4（OH）（3）中心点H2O使用水热法成功地合成。单晶X射线衍射分析表明，它在CentroSmmetric Space组P2（1）/ C中结晶，A = 6.249（4）埃，B = 11.459（6）埃，C = 8.749（5）埃，Beta = 108.493（6）度，Z = 4.SRB3O4（OH）（3）中心点H2O含有沿着C轴方向的无限[B3O4（OH）（3）]（2-）链由B3O8单元延伸，SR2 +阳离子填充这些链之间的空间。存在链间氢键，导致紧凑的3D结构。 SRB3O4（OH）（3）中心点H2O具有6.15eV的大型实验带隙，并且由UV-Vis-Nir漫反射谱发现的距离低于190nm（183nm）的短波长截止边缘。计算的带结构和SRB3O4（OH）（3）中心点H2O的状态的密度表明其间接能量差距为5.76eV，其与实验结果一致。在这项工作中还报道了SRB3O4（OH）（OH）（3）中心点H2O的热行为和IR光谱。 （c）2018 Elsevier B.v.保留所有权利。

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