On the Pb2HgO2Cl2 structure type: Synthesis and crystal structure of a new representative, Pb2CdO2Br2, and electronic structure and chemical bonding in the whole Pb2MO2X2 (M=Cd, Hg; X=Cl, Br) family

IF 3.4 3区化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR

Solid State Sciences Pub Date : 2024-07-24 DOI:10.1016/j.solidstatesciences.2024.107634

引用次数: 0

Abstract

The fourth representative of the Pb₂HgO₂Cl₂ structure type, a novel oxybromide with the chemical formula Pb₂CdO₂Br₂ has been prepared via solid-state route and characterized by powder and single-crystal X-ray diffraction, and Raman and EDX spectroscopy. No analogs with M = Zn or X = I have been observed as yet, though chemical interaction takes place and some new compounds are likely to be produced. The peculiarities of chemical bonding within the Pb₂MO₂X₂ family (M = Cd, Hg; X = Cl, Br) are analyzed by DFT calculations. Most likely, the main factor restricting the number of representatives for the Pb₂HgO₂Cl₂ structure type is the size ratio of M²⁺ and X⁻.

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关于 Pb2HgO2Cl2 结构类型：新代表 Pb2CdO2Br2 的合成和晶体结构，以及整个 Pb2MO2X2（M=镉、汞；X=Cl、溴）家族的电子结构和化学键

通过固态路线制备了 Pb2HgO2Cl2 结构类型的第四个代表，即化学式为 Pb2CdO2Br2 的新型氧溴化物，并通过粉末和单晶 X 射线衍射、拉曼光谱和 EDX 光谱对其进行了表征。目前还没有观察到 M = Zn 或 X = I 的类似物，但它们之间存在化学作用，可能会产生一些新的化合物。通过 DFT 计算分析了 Pb2MO2X2 家族（M = Cd、Hg；X = Cl、Br）中化学键的特殊性。限制 Pb2HgO2Cl2 结构类型代表数量的主要因素很可能是 M2+ 和 X- 的尺寸比。

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

Solid State Sciences 化学-无机化学与核化学

CiteScore

6.60

自引率

2.90%

发文量

214

审稿时长

27 days

期刊介绍： Solid State Sciences is the journal for researchers from the broad solid state chemistry and physics community. It publishes key articles on all aspects of solid state synthesis, structure-property relationships, theory and functionalities, in relation with experiments. Key topics for stand-alone papers and special issues: -Novel ways of synthesis, inorganic functional materials, including porous and glassy materials, hybrid organic-inorganic compounds and nanomaterials -Physical properties, emphasizing but not limited to the electrical, magnetical and optical features -Materials related to information technology and energy and environmental sciences. The journal publishes feature articles from experts in the field upon invitation. Solid State Sciences - your gateway to energy-related materials.