Spherical Aromaticity of All‐Metal [Bi@In8Bi12 ]3−/5− Clusters
Document Type
Article
Journal/Book Title
Chemistry: A European Journal
Publication Date
12-18-2019
Publisher
Wiley‐VCH Verlag GmbH & Co. KGaA
Award Number
NSF, Division of Chemistry (CHE) 1664379
Funder
NSF, Division of Chemistry (CHE)
Volume
26
Issue
9
First Page
2073
Last Page
2079
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.
Recommended Citation
Tkachenko, Nikolay V., et al. “Spherical Aromaticity of All‐Metal [Bi@In 8 Bi 12 ] 3−/5− Clusters.” Chemistry – A European Journal, vol. 26, no. 9, Feb. 2020, pp. 2073–79. DOI.org (Crossref), doi:10.1002/chem.201905264.
