新型稀土碘酸盐K2Y(IO3)5的合成、结构及光学性质

硅酸盐通报 ›› 2024, Vol. 43 ›› Issue (4): 1532-1538.

新型稀土碘酸盐K₂Y(IO₃)₅的合成、结构及光学性质

黄继明, 史荣卫, 刘润清, 任富忠, 王子阳, 冷森林

铜仁学院材料与化学工程学院,铜仁 554300

收稿日期:2023-09-22 修订日期:2023-12-05 出版日期:2024-04-15 发布日期:2024-04-17
通信作者: 刘润清,博士,副教授。E-mail:453493887@qq.com
作者简介:黄继明(1986—),男,博士,副教授。主要从事无机新材料合成方面的研究。E-mail:610022737@qq.com
基金资助:
国家自然科学基金(22361043);铜仁学院博士启动基金(trxyDH2203)

Synthesis, Structure and Optical Properties of Novel Rare Earth Iodate K₂Y(IO₃)₅

HUANG Jiming, SHI Rongwei, LIU Runqing, REN Fuzhong, WANG Ziyang, LENG Senlin

College of Materials and Chemical Engineering, Tongren University, Tongren 554300, China

Received:2023-09-22 Revised:2023-12-05 Online:2024-04-15 Published:2024-04-17

摘要/Abstract

摘要： 本文采用水热法合成了一例新的稀土碘酸盐K₂Y(IO₃)₅,通过单晶X射线衍射对其结构进行了解析。结果表明:K₂Y(IO₃)₅属三斜晶系,P1空间群,晶胞参数a=10.069(6) Å,b=8.418(1) Å,c=11.754(2) Å,α=109.664(5)°,β=90.518(6)°,γ=91.565(5)°,Z=2;其晶体结构是由K—O多面体连接零维[Y₂(IO₃)₁₀]^4-阴离子基团构成。采用紫外-可见-近红外漫反射光谱研究其透光范围,表明K₂Y(IO₃)₅透光范围为0.25~12.46 μm。采用TG-DSC分析了其热稳定性质,热分解温度为365 ℃。此外,采用第一性原理计算了K₂Y(IO₃)₅的能带结构,结果表明I-5p、O-2p轨道主导了结构的光学性质。

关键词: 水热反应, 稀土碘酸盐, 晶体, 光学性质, 第一性原理计算

Abstract: A new rare earth iodate K₂Y(IO₃)₅ has been synthesized by hydrothermal method in this paper. Its structure was determined by single crystal diffraction. The results show that K₂Y(IO₃)₅ crystallizes in triclinic crystal system with P1 space group. Its crystal cell parameters are a=10.069(6) Å, b=8.418(1) Å, c=11.754(2) Å, α=109.664(5)°, β=90.518(6)°, γ=91.565(5)°, Z=2. The structure of K₂Y(IO₃)₅ features a zero-dimensional [Y₂(IO₃)₁₀]^4- anion group, which further linked by K—O polyhedrons to construct the whole framework. In addition, UV-Vis-NIR diffuse reflection spectroscopy shows that K₂Y(IO₃)₅ has a wide transmission range about 0.25~12.46 μm. TG-DSC indicated that the thermal decomposition temperature of K₂Y(IO₃)₅ is 365 ℃. Meanwhile, the band structure of K₂Y(IO₃)₅ is also calculated using first principles. The results shows that the I-5p and O-2p orbits dominate the optical properties of the structure.

Key words: hydrothermal reaction, rare earth iodates, crystal, optical property, first principles calculation

中图分类号:

O782

黄继明, 史荣卫, 刘润清, 任富忠, 王子阳, 冷森林. 新型稀土碘酸盐K₂Y(IO₃)₅的合成、结构及光学性质[J]. 硅酸盐通报, 2024, 43(4): 1532-1538.

HUANG Jiming, SHI Rongwei, LIU Runqing, REN Fuzhong, WANG Ziyang, LENG Senlin. Synthesis, Structure and Optical Properties of Novel Rare Earth Iodate K₂Y(IO₃)₅[J]. BULLETIN OF THE CHINESE CERAMIC SOCIETY, 2024, 43(4): 1532-1538.

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新型稀土碘酸盐K₂Y(IO₃)₅的合成、结构及光学性质

Synthesis, Structure and Optical Properties of Novel Rare Earth Iodate K₂Y(IO₃)₅

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