[K(Bi@Pd@Bi)]: An Endohedral Inorganic Fullerene with Spherical Aromaticity.

J Am Chem Soc

State Key Laboratory of Elemento-Organic Chemistry, Tianjin Key Lab for Rare Earth Materials and Applications, School of Materials Science and Engineering, Nankai University, Tianjin 300350, China.

Published: May 2024

AI Article Synopsis

  • Inorganic fullerene clusters are gaining interest due to their unique geometric shapes and electronic properties, but similar structures made from heavy metals are rare and hard to create.
  • The study introduces a new cluster named [K(Bi@Pd@Bi)], which features a bismuth cage structure and is noted as the largest of its kind.
  • Additional investigations reveal that this cluster exhibits a quartet spin state and shows electronic characteristics similar to carbon, along with a distinct open-shell aromatic property.

Article Abstract

Inorganic fullerene clusters have attracted widespread attention due to their highly symmetrical geometric structures and intrinsic electronic properties. However, cage-like clusters composed of heavy metal elements with high symmetry are rarely reported, and their synthesis is also highly challenging. In this study, we present the synthesis of a [K(Bi@Pd@Bi)] cluster that incorporates a {Bi} cage with - symmetry, making it the largest main group metal cluster compound composed of the bismuth element to date. Magnetic characterization and theoretical calculations suggest that the spin state of the overall cluster is a quartet. Quantum chemical calculations reveal that the [Bi] cluster has a similar electronic configuration to C and the [Bi@Pd@Bi] cluster exhibits a unique open-shell aromatic character.

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http://dx.doi.org/10.1021/jacs.4c03024DOI Listing

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