Autor segons l'article: Yan, YJ; Abella, L; Sun, R; Fang, YH; Roselló, Y; Shen, Y; Jin, MH; Rodríguez-Fortea, A; de Graaf, C; Meng, QY; Yao, YR; Echegoyen, L; Wang, BW; Gao, S; Poblet, JM; Chen, N
Departament: Química Física i Inorgànica
Autor/s de la URV: Abella Guzman, Laura / De Graaf, Cornelis / Poblet Rius, Josep Maria / Rodríguez Fortea, Antonio / Rosello Marin, Yannick
Paraules clau: Quantum-chemical calculations magnetization ions gd-2-at-c79n fullerene exchange atoms approximation
Resum: Understanding metal-metal bonding involving f-block elements has been a challenging goal in chemistry. Here we report a series of mixed-valence di-metallofullerenes, ThDy@C2n (2n = 72, 76, 78, and 80) and ThY@C2n (2n = 72 and 78), which feature single electron actinide-lanthanide metal-metal bonds, characterized by structural, spectroscopic and computational methods. Crystallographic characterization unambiguously confirmed that Th and Y or Dy are encapsulated inside variably sized fullerene carbon cages. The ESR study of ThY@D3h(5)-C78 shows a doublet as expected for an unpaired electron interacting with Y, and a SQUID magnetometric study of ThDy@D3h(5)-C78 reveals a high-spin ground state for the whole molecule. Theoretical studies further confirm the presence of a single-electron bonding interaction between Y or Dy and Th, due to a significant overlap between hybrid spd orbitals of the two metals.© 2023. Springer Nature Limited.
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Accès a la llicència d'ús: https://creativecommons.org/licenses/by/3.0/es/
Adreça de correu electrònic de l'autor: yannick.rosello@urv.cat coen.degraaf@urv.cat laura.abella@urv.cat antonio.rodriguezf@urv.cat josepmaria.poblet@urv.cat yannick.rosello@urv.cat
Identificador de l'autor: 0000-0001-8114-6658 0000-0001-5884-5629 0000-0002-4533-0623
Data d'alta del registre: 2024-01-27
Versió de l'article dipositat: info:eu-repo/semantics/publishedVersion
Enllaç font original: https://www.nature.com/articles/s41467-023-42165-x
URL Document de llicència: http://repositori.urv.cat/ca/proteccio-de-dades/
Referència a l'article segons font original: Nature Communications. 14 (1): 6637-6637
Referència de l'ítem segons les normes APA: Yan, YJ; Abella, L; Sun, R; Fang, YH; Roselló, Y; Shen, Y; Jin, MH; Rodríguez-Fortea, A; de Graaf, C; Meng, QY; Yao, YR; Echegoyen, L; Wang, BW; Gao, (2023). Actinide-lanthanide single electron metal-metal bond formed in mixed-valence di-metallofullerenes. Nature Communications, 14(1), 6637-6637. DOI: 10.1038/s41467-023-42165-x
DOI de l'article: 10.1038/s41467-023-42165-x
Entitat: Universitat Rovira i Virgili
Any de publicació de la revista: 2023
Tipus de publicació: Journal Publications
Repositori URV