Discrete Ru(Sn)6 Octahedra Encapsulated in Oxoindate Channels: RuSn6In6O16 with Highly Ordered In/Sn Sites

IF 4.4 2区化学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

ACS Applied Polymer Materials Pub Date : 2024-10-23 DOI:10.1021/acs.chemmater.4c02253

Mohammed S. Abdelbassit, Zhanghao Ren, Samuel Yick, Kai Sun, Ziyun Wang, Tilo Söhnel

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Abstract

A new transition metal–mixed main group element cluster compound, RuSn₆In₆O₁₆, was prepared via the tin-flux method. Single-crystal structure refinements show that RuSn₆In₆O₁₆ crystallizes in a monoclinic crystal system with a centrosymmetric C2/m space group. It shows a unique structure type reminiscent of metal–organic framework (MOF) structures. The structure exhibits a highly positive [Ru(Sn)₆]¹⁴⁺ metallic cluster (guest) encapsulated in an oxoindate framework (host) formed by a combination of corner- and edge-sharing InO₆/InO₇ polyhedra. The oxidation states were experimentally and theoretically determined to be Ru²⁺ and Sn²⁺ in the metallic cluster and In³⁺ in the oxide layers. The cluster shows a direct band gap like that of semiconducting materials, which was also confirmed by band structure calculations. The photoluminescence spectrum exhibits a peak at 455 nm (blue emission), which may originate from oxygen vacancies in the microcrystalline powder. This indicates that RuSn₆In₆O₁₆ has the potential to be used in light-emitting diodes (LEDs) and photovoltaic applications.

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封装在氧化茚酸盐通道中的离散 Ru(Sn)6 八面体：具有高度有序的 In/Sn 位点的 RuSn6In6O16

通过锡通量法制备了一种新的过渡金属混合主族元素团簇化合物 RuSn6In6O16。单晶结构细化结果表明，RuSn6In6O16 在单斜晶系中结晶，具有中心对称的 C2/m 空间群。它显示出一种独特的结构类型，让人联想到金属有机框架（MOF）结构。该结构展示了一个高正向的[Ru(Sn)6]14+金属团簇（客体），它被包裹在一个由InO6/InO7多面体的边角共享组合形成的氧化铟酸盐框架（宿主）中。经实验和理论测定，金属团簇中的氧化态为 Ru2+ 和 Sn2+，氧化层中的氧化态为 In3+。该金属簇显示出与半导体材料类似的直接带隙，带状结构计算也证实了这一点。光致发光光谱在 455 纳米处显示出一个峰值（蓝色发射），这可能源于微晶粉末中的氧空位。这表明 RuSn6In6O16 有潜力用于发光二极管（LED）和光伏应用。

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来源期刊

ACS Applied Polymer Materials Multiple-

CiteScore

7.20

自引率

6.00%

发文量

810

期刊介绍： ACS Applied Polymer Materials is an interdisciplinary journal publishing original research covering all aspects of engineering, chemistry, physics, and biology relevant to applications of polymers. The journal is devoted to reports of new and original experimental and theoretical research of an applied nature that integrates fundamental knowledge in the areas of materials, engineering, physics, bioscience, polymer science and chemistry into important polymer applications. The journal is specifically interested in work that addresses relationships among structure, processing, morphology, chemistry, properties, and function as well as work that provide insights into mechanisms critical to the performance of the polymer for applications.