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- Title
Spherical Aromaticity of All‐Metal [Bi@In<sub>8</sub>Bi<sub>12</sub>]<sup>3−/5−</sup> Clusters.
- Authors
Tkachenko, Nikolay V.; Zhang, Xiang‐Wen; Qiao, Lei; Shu, Cong‐Cong; Steglenko, Dmitry; Muñoz‐Castro, Alvaro; Sun, Zhong‐Ming; Boldyrev, Alexander I.
- Abstract
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[In8Bi13] 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@In8Bi12]3− and [Bi@In8Bi12]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.
- Subjects
AROMATICITY; CHEMICAL bonds; CONDENSED matter; MAGNETIC properties; MAGNETIC fields
- Publication
Chemistry - A European Journal, 2020, Vol 26, Issue 9, p2073
- ISSN
0947-6539
- Publication type
Article
- DOI
10.1002/chem.201905264