Al8(BO3)4(B2O5)F8: A F-Containing Aluminum Borate Featuring Two Types of Isolated B-O Groups.,Inorganic Chemistry

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Al8(BO3)4(B2O5)F8: A F-Containing Aluminum Borate Featuring Two Types of Isolated B-O Groups.
Inorganic Chemistry ( IF 4.3 ) Pub Date : 2019-12-26 , DOI: 10.1021/acs.inorgchem.9b03067
Ya Wang _{1,

2} , Jian Han _{1,

2} , Junben Huang ₁ , Zhihua Yang _{1,

2} , Shilie Pan _{1,

2}

Affiliation

Al8(BO3)4(B2O5)F8, as a new aluminum borate fluoride, has been synthesized by the high-temperature reaction with the closed system for the first time. With respect to its structure, the isolated BO3 and B2O5 groups reside in the center and edge of tunnels constructed by the AlO4F2 polyhedra. The AlO4F2 polyhedra play the vital role on the formation of isolated B-O groups. According to our investigation, Al8(BO3)4(B2O5)F8 is the first case, which features two types of independently isolated B-O groups in the aluminum borate fluorides. Its cutoff edge is up to deep ultraviolet (DUV) range. What is more, the energy dispersive spectroscopy (EDS), infrared (IR) spectrum, and the first-principles calculations of Al8(BO3)4(B2O5)F8 have been performed.

中文翻译：

Al8（BO3）4（B2O5）F8：含F的硼酸铝，具有两种类型的分离的BO基团。

Al8（BO3）4（B2O5）F8是一种新型的硼酸铝氟化物，它是通过与密闭系统的高温反应首次合成的。就其结构而言，孤立的BO3和B2O5基团位于由AlO4F2多面体构成的隧道的中心和边缘。AlO4F2多面体在孤立的BO基团的形成中起着至关重要的作用。根据我们的调查，Al8（BO3）4（B2O5）F8是第一种情况，其特征在于硼酸铝氟化物中有两种类型的独立分离的BO基团。它的截止边缘高达深紫外线（DUV）范围。此外，已经执行了能量色散光谱（EDS），红外（IR）光谱以及Al8（BO3）4（B2O5）F8的第一性原理计算。

更新日期：2019-12-27

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