Exohedral Cuprofullerene: Sequentially Expanding Metal Olefin Up to a C60@Cu24 Rhombicuboctahedron

Shun-Ze Zhan; Guo-Hui Zhang; Jing-Hong Li; Jia-Li Liu; Si-Hui Zhu; Weigang Lu; Ji Zheng; Seik Weng Ng; Dan Li

doi:10.1021/jacs.0c00090

Exohedral Cuprofullerene: Sequentially Expanding Metal Olefin Up to a C₆₀@Cu₂₄ Rhombicuboctahedron

J Am Chem Soc. 2020 Apr 1;142(13):5943-5947. doi: 10.1021/jacs.0c00090. Epub 2020 Mar 23.

Authors

Shun-Ze Zhan^{1

2}, Guo-Hui Zhang¹, Jing-Hong Li¹, Jia-Li Liu¹, Si-Hui Zhu¹, Weigang Lu³, Ji Zheng³, Seik Weng Ng⁴, Dan Li³

Affiliations

¹ Department of Chemistry and Key Laboratory for Preparation and Application of Ordered Structural Materials of Guangdong Province, Shantou University, Shantou 515063, P. R. China.
² Chemistry and Chemical Engineering Guangdong Laboratory, Shantou 515031, P. R. China.
³ College of Chemistry and Materials Science, Jinan University, Guangzhou 510632, P. R. China.
⁴ UCSI University, 1 Jalan Puncak Menara Gading, UCSI Heights, 56000 Cheras, Kuala Lumpur, Malaysia.

PMID: 32187495
DOI: 10.1021/jacs.0c00090

Abstract

Exohedral cuprofullerenes with 6-, 12-, or 24-nuclearity were obtained by utilizing fluorocarboxylic/dicarboxylic acid under solvothermal conditions. The 24-nuclear molecule presents a C₆₀@Cu₂₄ core-shell structure with a rhombicuboctahedron Cu₂₄ coated on the C₆₀ core, representing the highest nuclearity in metallofullerene. The resultant complexes show an efficient absorption of visible light as opposed to the pristine C₆₀. TD-DFT calculations revealed the charge transfer from Cu(I) and O atoms to the fullerene moiety dominates the photophysical process.