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NH4B11O16(OH)2: a new ammonium borate with wavy-shaped polycyclic 2∞[B11O16(OH)2] layers
New Journal of Chemistry ( IF 3.3 ) Pub Date : 2018-06-15 , DOI: 10.1039/c8nj02359j
Chunmei Huang 1, 2, 3, 4, 5 , Fangfang Zhang 1, 2, 3, 4, 5 , Bingbing Zhang 1, 2, 3, 4, 5 , Zhihua Yang 1, 2, 3, 4, 5 , Shilie Pan 1, 2, 3, 4, 5
Affiliation  

The ammonium borate NH4B11O16(OH)2 has been successfully synthesized by a mild hydrothermal method. Its structure features a new fundamental building block (FBB) [B11O18(OH)2], which is composed of a [B5O10] double-ring and two [B3O5(OH)] single-rings via sharing corner oxygen atoms. The FBB further condenses into 2D wavy-shaped polycyclic layers 2[B11O16(OH)2] and forms the final framework through hydrogen bonding. Specifically, the effect of the hydroxyl to boron ratio (NOH/NB) on the FBB assembly has been investigated in the ammonium borate system. In addition, the optical and thermal properties of this compound have been studied experimentally. First-principles calculations have also been carried out in order to understand the electronic structure.

中文翻译:

NH 411 ø 16(OH)2:新的硼酸盐波浪形多环铵2 [B 11 ø 16(OH)2 ]的层

硼酸铵NH 4 B 11 O 16(OH)2已通过温和的水热法成功合成。它的结构具有一个新的基本构件(FBB)[B 11 O 18(OH)2 ],它由一个[B 5 O 10 ]双环和两个[B 3 O 5(OH)]单环组成。通过分享角落的氧原子。在FBB进一步凝结成2D波浪形多环层2 [B 11 ø 16(OH)2]并通过氢键形成最终的骨架。具体而言,已在硼酸铵系统中研究了羟基与硼之比(N OH / N B)对FBB组件的影响。另外,已经对该化合物的光学和热学性质进行了实验研究。为了理解电子结构,还进行了第一性原理计算。
更新日期:2018-07-09
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