Na2B12Si6Se18: a novel B12-cluster-containing quaternary selenoborate framework material†

IF 3.5 3区 化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR
Gopabandhu Panigrahi, Hunter B. Tisdale, Gregory Morrison and Hans-Conrad zur Loye
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Abstract

We report the successful synthesis of the new quaternary, three-dimensional Na2Si6B12Se18 material using a solid-state synthesis route. This compound is characterized by a unique framework structure that features the rare icosahedral [B12]10+ cation which is connected via Si2Se6 polyhedral units into a 3D framework structure with Na+ ions located inside the channels. The Na2Si6B12Se18 compound crystallizes in the cubic crystal system in the space group Im, with lattice parameter a = 11.91110(10) Å and unit cell volume of 1689.88(4) Å3. The 3D framework of the [Si6B12Se18]2− anion contains B12 icosahedra with six of their edges bridged by tetrahedral SiSe4 groups. The B12 icosahedral units are connected by the SiSe4 tetrahedral units which bridge between each B12 icosahedron. Ultraviolet–Visible (UV-vis) spectroscopy revealed that Na2Si6B12Se18 exhibits semiconducting behavior with an estimated bandgap of 2.1(1) eV. In situ powder X-ray diffraction (PXRD) studies were conducted to investigate the phase formation of this compound as a function of temperature to obtain information of its thermal stability and structural evolution.

Abstract Image

Na2B12Si6Se18:一种新型含b12簇的季硒酸盐骨架材料
我们报告采用固态合成路线成功合成了新的四元、三维Na₂Si₆B₁₂Se₁₈原料。该化合物具有独特的框架结构,其特征是罕见的二十面体[B12]10+阳离子通过Si2Se6多面体单元连接成三维框架结构,Na⁺离子位于通道内。Na2Si6B12Se18化合物在Im¯3空间群中以立方晶体系结晶,晶格参数a = 11.91110(10) Å,晶胞体积为1689.88(4)ų。[Si6B12Se18]²毒血症的三维框架包含B₁₂二十面体,其六个边由四面体SiSe4基团桥接。B12二十面体单元由SiSe4四面体单元连接,SiSe4四面体单元在每个B₁2二十面体之间架桥。紫外-可见(UV-vis)光谱分析表明,Na2Si6B12Se18具有半导体性质,估计带隙为2.1(1)eV。采用原位粉末x射线衍射(PXRD)研究了该化合物的相形成与温度的关系,获得了其热稳定性和结构演变的信息。
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来源期刊
Dalton Transactions
Dalton Transactions 化学-无机化学与核化学
CiteScore
6.60
自引率
7.50%
发文量
1832
审稿时长
1.5 months
期刊介绍: Dalton Transactions is a journal for all areas of inorganic chemistry, which encompasses the organometallic, bioinorganic and materials chemistry of the elements, with applications including synthesis, catalysis, energy conversion/storage, electrical devices and medicine. Dalton Transactions welcomes high-quality, original submissions in all of these areas and more, where the advancement of knowledge in inorganic chemistry is significant.
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