Author, as appears in the article.: Yan, Yingjing; Abella, Laura; Sun, Rong; Fang, Yu-Hui; Rosello, Yannick; Shen, Yi; Jin, Meihe; Rodriguez-Fortea, Antonio; de Graaf, Coen; Meng, Qingyu; Yao, Yang-Rong; Echegoyen, Luis; Wang, Bing-Wu; Gao, Song; Poblet, Josep M; Chen, Ning
Department: Química Física i Inorgànica
URV's Author/s: Abella Guzman, Laura / De Graaf, Cornelis / Poblet Rius, Josep Maria / Rodríguez Fortea, Antonio / Rosello Marin, Yannick
Keywords: Quantum-chemical calculations magnetization ions gd-2-at-c79n fullerene exchange atoms approximation
Abstract: 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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licence for use: https://creativecommons.org/licenses/by/3.0/es/
Author's mail: coen.degraaf@urv.cat yannick.rosello@estudiants.urv.cat josepmaria.poblet@urv.cat antonio.rodriguezf@urv.cat
Author identifier: 0000-0001-8114-6658 0000-0002-4533-0623 0000-0001-5884-5629
Record's date: 2024-10-12
Papper version: info:eu-repo/semantics/publishedVersion
Link to the original source: https://www.nature.com/articles/s41467-023-42165-x
Licence document URL: https://repositori.urv.cat/ca/proteccio-de-dades/
Papper original source: Nature Communications. 14 (1): 6637-6637
APA: Yan, Yingjing; Abella, Laura; Sun, Rong; Fang, Yu-Hui; Rosello, Yannick; Shen, Yi; Jin, Meihe; Rodriguez-Fortea, Antonio; de Graaf, Coen; Meng, Qingyu (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
Article's DOI: 10.1038/s41467-023-42165-x
Entity: Universitat Rovira i Virgili
Journal publication year: 2023
Publication Type: Journal Publications
Repositori URV