2026-04-13T04:51:27Zhttps://recercat.cat/oai/request

oai:recercat.cat:10256/249602024-06-18T13:59:23Zcom_2072_452955com_2072_2054col_2072_453073

00925njm 22002777a 4500 dc Shu, Cong-Cong author Szczepanik, Dariusz W. author Muñoz-Castro, Alvaro author Solà i Puig, Miquel author Sun, Zhong-Ming author info:eu-repo/date/embargoEnd/2025-05-08 2024-05-08 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 paper, we present the synthesis of a [K2(Bi@Pd12@Bi20)]4− cluster that incorporates a {Bi20} cage with pseudo-Ih 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 [Bi20]3− cluster has the similar electronic configuration to C606− and [Bi@Pd12@Bi20]6− cluster exhibits a unique open-shell aromatic character Spanish Ministerio de Ciencia e Innovación for project PID2020-113711GB-I00 and the Generalitat de Catalunya for project 2017SGR39 http://hdl.handle.net/10256/24960 Compostos aromàtics Pal·ladi (Element químic) Aromatic compounds Palladium [K2(Bi@Pd12@Bi20)]4−: An Endohedral Inorganic Fullerene with Spherical Aromaticity