K[BOF(OH)](NO)：首个具有短紫外截止边缘和大双折射的羟基氟氧硼酸盐硝酸盐。
K[BOF(OH)](NO): the first hydroxyfluorooxoborate-nitrate with a short ultraviolet cutoff edge and large birefringence.
作者信息
Zhang Luyong, Wang Shibin, Zhang Fangfang, Yang Zhihua, Hou Xueling
机构信息
Research Center for Crystal Materials, CAS Key Laboratory of Functional Materials and Devices for Special Environments, Xinjiang Technical Institute of Physics and Chemistry, CAS, 40-1 South Beijing Road, Urumqi 830011, China.
Center of Materials Science and Optoelectronics Engineering, University of Chinese Academy of Sciences, Beijing 100049, China.
出版信息
Dalton Trans. 2023 Oct 3;52(38):13492-13496. doi: 10.1039/d3dt02529b.
The first hydroxyfluorooxoborate-nitrate mixed anion compound, KBOF(OH), was synthesized by the solution evaporation method. It displays a unique structure built by K cations, the hydroxylated and fluorinated six-membered ring [BOF(OH)] and [NO] groups. It possesses a band gap of 5.68 eV derived from the diffuse reflectance spectrum, which corresponds to an ultraviolet cutoff edge of 218 nm. First-principles calculations show that it has a large birefringence of 0.095 at 532 nm and the result of the response electron distribution anisotropy method indicates that all three anion groups contribute positively to the birefringence, verifying the synergic contributions from the multiple anion groups.
通过溶液蒸发法合成了首个羟基氟氧硼酸盐 - 硝酸盐混合阴离子化合物KBOF(OH)。它展现出一种独特的结构，由K⁺阳离子、羟基化和氟化的六元环[BOF(OH)]⁻和[NO₃]⁻基团构成。由漫反射光谱得出其带隙为5.68 eV，对应218 nm的紫外截止边缘。第一性原理计算表明，它在532 nm处具有0.095的大双折射，响应电子分布各向异性方法的结果表明，所有三个阴离子基团对双折射都有正向贡献，证实了多个阴离子基团的协同贡献。
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