Spherical Aromaticity of All‐Metal [Bi@In 8 Bi 12 ] 3−/5− Clusters
| Autor: | Zhong-Ming Sun, Alvaro Muñoz-Castro, Xiang-Wen Zhang, Alexander I. Boldyrev, Lei Qiao, Nikolay V. Tkachenko, Cong-Cong Shu, Dmitriy Steglenko |
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| Rok vydání: | 2020 |
| Předmět: |
010405 organic chemistry
Chemistry Organic Chemistry General Chemistry Spherical aromaticity 010402 general chemistry 01 natural sciences Catalysis Symmetry (physics) 0104 chemical sciences Magnetic field Metal Chemical bond Chemical physics visual_art Phase (matter) X-ray crystallography visual_art.visual_art_medium Binary clusters |
| Zdroj: | Chemistry – A European Journal. 26:2073-2079 |
| ISSN: | 1521-3765 0947-6539 |
| DOI: | 10.1002/chem.201905264 |
| Popis: | The chemical bonding of Zintl clusters is still an evolving and hot topic in modern chemistry. In this paper we synthesized a novel [K([2.2.2]crypt)]4 [In8 Bi13 ] complex in a condensed phase. The quantum chemical calculations and X-ray data revealed that the compound consists of the 1:1 mixture of [Bi@In8 Bi12 ]3- and [Bi@In8 Bi12 ]5- clusters. To the date, those clusters are the largest binary clusters composed of In and Bi elements. Herein, we introduce a spherical aromatic description of chemical bonding for such clusters. We show through AdNDP, ELF, and induced magnetic field and quantitative NICS analyzes that both clusters are spherically aromatic which explains their high symmetry, stability, and peculiar magnetic properties. We believe that this work will help researchers in the further development and understanding of chemical bonding in Zintl clusters. |
| Databáze: | OpenAIRE |
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