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NaSrBO:一种具有独立互穿B-O网络和深紫外截止边缘的新型硼酸盐。

NaSrBO: a new borate with independent interpenetrating B-O networks and deep-ultraviolet cutoff edge.

作者信息

Chen Zhikang, Zhang Kewang, Zhang Bei, Zhang Jun

机构信息

School of Physics Science and Technology, Xinjiang University, Urumqi 830046, Xinjiang, People's Republic of China.

出版信息

Dalton Trans. 2022 Mar 8;51(10):4097-4103. doi: 10.1039/d2dt00009a.

Abstract

A new borate, NaSrBO, was synthesized by the high-temperature solution method. It exhibits complicated interpenetrating 3D B-O frameworks composed of the functional building block (FBB) [BO]. The UV-vis-NIR diffuse reflectance spectroscopy shows that it has a deep-ultraviolet (DUV) cutoff edge (<200 nm). The relationship between the structures and optical properties was uncovered by theoretical calculations. By the first-principles calculation, the birefringence is estimated to be 0.07 at 1064 nm. The response electron distribution anisotropy (REDA) analysis indicates that the [BO] units contribute mainly to the generation of the moderate birefringence.

摘要

通过高温溶液法合成了一种新型硼酸盐NaSrBO。它呈现出由功能构筑单元(FBB)[BO]组成的复杂三维B-O骨架。紫外-可见-近红外漫反射光谱表明它具有深紫外(DUV)截止边(<200nm)。通过理论计算揭示了结构与光学性质之间的关系。通过第一性原理计算,估计在1064nm处双折射为0.07。响应电子分布各向异性(REDA)分析表明,[BO]单元主要对中等双折射的产生有贡献。

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