Actinide-lanthanide single electron metal-metal bond formed in mixed-valence di-metallofullerenes

Yingjing Yan, Laura Abella, Rong Sun, Yu-Hui Fang, Yannick Roselló, Yi Shen, Meihe Jin, Antonio Rodríguez-Fortea, Coen Graaf, Qingyu Meng, Yang-Rong Yao (), Luis Echegoyen, Bing-Wu Wang (), Song Gao, Josep M. Poblet () and Ning Chen ()
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Yingjing Yan: Soochow University
Laura Abella: Universitat Rovira i Virgili
Rong Sun: Peking University
Yu-Hui Fang: Peking University
Yannick Roselló: Universitat Rovira i Virgili
Yi Shen: Soochow University
Meihe Jin: Soochow University
Antonio Rodríguez-Fortea: Universitat Rovira i Virgili
Coen Graaf: Universitat Rovira i Virgili
Qingyu Meng: Soochow University
Yang-Rong Yao: Soochow University
Luis Echegoyen: University of Texas at El Paso, 500 W University Avenue
Bing-Wu Wang: Peking University
Song Gao: Peking University
Josep M. Poblet: Universitat Rovira i Virgili
Ning Chen: Soochow University

Nature Communications, 2023, vol. 14, issue 1, 1-10

Abstract: 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.

Date: 2023
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DOI: 10.1038/s41467-023-42165-x

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