氟氧硼酸盐家族的一员：具有基本结构单元BOF和短截止边的LiNaKBOF
A Member of Fluorooxoborates: LiNaKBOF with the Fundamental Building Block BOF and a Short Cutoff Edge.
作者信息
Han Shujuan, Wang Ying, Zhang Bingbing, Yang Zhihua, Pan Shilie
机构信息
CAS Key Laboratory of Functional Materials and Devices for Special Environments, Xinjiang Technical Institute of Physics & Chemistry, CAS; Xinjiang Key Laboratory of Electronic Information Materials and Devices , 40-1 South Beijing Road, Urumqi 830011, China.
出版信息
Inorg Chem. 2018 Jan 16;57(2):873-878. doi: 10.1021/acs.inorgchem.7b02838. Epub 2018 Jan 2.
A new member of fluorooxoborates, LiNaKBOF, was obtained in the sealed system, and single-crystal X-ray diffraction was used to determine its structure. It contains a three-dimensional framework stacking of [BOF] layers extending into the ac plane. Detailed structural comparisons among all of the fluorine-containing alkali-metal borates suggest that the [BOF] layer composed of the new fundamental building blocks BOF represents a new structure type of fluorooxoborate. The IR spectrum verifies its structural validity. The deep-ultraviolet spectral measurement shows that it has no obvious absorption in the range of 180-300 nm, and its cutoff edge is under 180 nm. In addition, theoretical calculations were done to help us understand its electronic structure and optical properties.
在密封体系中获得了一种氟代硼酸盐新成员LiNaKBOF，并采用单晶X射线衍射确定其结构。它包含延伸至ac平面的[BOF]层的三维骨架堆积结构。对所有含氟碱金属硼酸盐进行的详细结构比较表明，由新的基本结构单元BOF组成的[BOF]层代表了一种新型的氟代硼酸盐结构类型。红外光谱验证了其结构的有效性。深紫外光谱测量表明，它在180 - 300 nm范围内无明显吸收，其截止边在180 nm以下。此外，还进行了理论计算以帮助我们了解其电子结构和光学性质。
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