Synthesis and characterization of an organic-inorganic hybrid crystal: 2[Co(en)₃](V₄O₁₃)·4H₂O.

IF 1.3 3区化学 Q3 CHEMISTRY, MULTIDISCIPLINARY

Acta crystallographica Section B, Structural science, crystal engineering and materials Pub Date : 2024-10-01 Epub Date: 2024-09-03 DOI:10.1107/S2052520624007509

Emilie Skytte Vosegaard, Mohammad Aref Hasen Mamakhel, Vijay Singh Parmar, Andreas Dueholm Bertelsen, Bo Brummerstedt Iversen

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引用次数: 0

Abstract

Organic-inorganic hybrid crystals have diverse functionalities, for example in energy storage and luminescence, due to their versatile structures. The synthesis and structural characterization of a new cobalt-vanadium-containing compound, 2[Co(en)₃]³⁺(V₄O₁₃)^6-·4H₂O (1) is presented. The crystal structure of 1, consisting of [Co(en)₃]³⁺ complexes and chains of corner-sharing (VO₄) tetrahedra, was solved by single-crystal X-ray diffraction in the centrosymmetric space group P1. Phase purity of the bulk material was confirmed by infrared spectroscopy, scanning electron microscopy, elemental analysis and powder X-ray diffraction. The volume expansion of 1 was found to be close to 1% in the reported temperature range from 100 to 300 K, with a volume thermal expansion coefficient of 56 (2) × 10^-6 K^-1. The electronic band gap of 1 is 2.30 (1) eV, and magnetic susceptibility measurements showed that the compound exhibits a weak paramagnetic response down to 1.8 K, probably due to minor Co^II impurities (<1%) on the Co^III site.

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有机-无机杂化晶体：2[Co(en)3](V4O13)-4H2O 的合成与表征。

有机-无机杂化晶体因其多变的结构而具有多种功能，例如储能和发光。本文介绍了一种新型含钴钒化合物 2[Co(en)3]3+(V4O13)6--4H2O (1) 的合成和结构特征。1 的晶体结构由[Co(en)3]3+ 复合物和分角（VO4）四面体链组成，通过单晶 X 射线衍射解决了中心对称空间群 P1 的晶体结构。红外光谱、扫描电子显微镜、元素分析和粉末 X 射线衍射证实了块状材料的相纯度。在报告的 100 至 300 K 温度范围内，1 的体积膨胀率接近 1%，体积热膨胀系数为 56 (2) × 10-6 K-1。1 的电子带隙为 2.30 (1) eV，磁感应强度测量显示，该化合物在低至 1.8 K 时表现出微弱的顺磁响应，这可能是由于少量的 CoII 杂质（III 位点）造成的。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Acta crystallographica Section B, Structural science, crystal engineering and materials CHEMISTRY, MULTIDISCIPLINARYCRYSTALLOGRAPH-CRYSTALLOGRAPHY

CiteScore

3.60

自引率

5.30%

发文量

期刊介绍： Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials publishes scientific articles related to the structural science of compounds and materials in the widest sense. Knowledge of the arrangements of atoms, including their temporal variations and dependencies on temperature and pressure, is often the key to understanding physical and chemical phenomena and is crucial for the design of new materials and supramolecular devices. Acta Crystallographica B is the forum for the publication of such contributions. Scientific developments based on experimental studies as well as those based on theoretical approaches, including crystal-structure prediction, structure-property relations and the use of databases of crystal structures, are published.