2026-04-05T10:51:05Zhttps://recercat.cat/oai/request

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

[K2(Bi@Pd12@Bi20)]4−: An Endohedral Inorganic Fullerene with Spherical Aromaticity Shu, Cong-Cong Szczepanik, Dariusz W. Muñoz-Castro, Alvaro Solà i Puig, Miquel Sun, Zhong-Ming Compostos aromàtics Pal·ladi (Element químic) Aromatic compounds Palladium 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 2024-06-18T13:59:23Z 2024-06-18T13:59:23Z info:eu-repo/date/embargoEnd/2025-05-08 2024-05-08 info:eu-repo/semantics/article info:eu-repo/semantics/acceptedVersion peer-reviewed http://hdl.handle.net/10256/24960 info:eu-repo/semantics/altIdentifier/doi/10.1021/jacs.4c03024 info:eu-repo/semantics/altIdentifier/issn/0002-7863 info:eu-repo/semantics/altIdentifier/eissn/1520-5126 PID2020-113711GB-I00 info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020/PID2020-113711GB-I00/ES/DISEÑO Y SINTESIS DE FULLERENOS PARA LA CONSTRUCCION DE CELDAS SOLARES HIBRIDAS DE PEROVSKITA Y FULERENOS D ALTO RENDIMIENTO. UN ENFOQUE EXPERIMENTAL Y COMPUTACIONAL SINERGICO/ Tots els drets reservats info:eu-repo/semantics/embargoedAccess American Chemical Society (ACS) © Journal of the American Chemical Society, 2024, vol. 146, núm. 20, p. 14166-14173 Articles publicats (D-Q) Shu, C.-C. Szczepanik, D. W. Muñoz-Castro, A. Solà, M. Sun, Z.-M. 2024 [K2(Bi@Pd12@Bi20)]4−: An Endohedral Inorganic Fullerene with Spherical Aromaticity Journal of the American Chemical Society 146 20 14166 14173