An unprecedented C80 cage that violates the isolated pentagon rule

Pengwei Yu; Mengyang Li; Wangqiang Shen; Shuaifeng Hu; Peng-Yuan Yu; Xinyue Tian; Xiang Zhao; Lipiao Bao; Xing Lu

doi:10.1039/D2QI00410K

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An unprecedented C₈₀ cage that violates the isolated pentagon rule†

Pengwei Yu,‡^a Mengyang Li,‡^b Wangqiang Shen,^a Shuaifeng Hu,^a Peng-Yuan Yu,^a Xinyue Tian,^a Xiang Zhao,

*^b Lipiao Bao

*^a and Xing Lu

*^a

Author affiliations

* Corresponding authors

^a State Key Laboratory of Materials Processing and Die & Mould Technology, School of Materials Science and Engineering, Huazhong University of Science and Technology, 1037 Luoyu Road, Wuhan, 430074 China
E-mail: baol@hust.edu.cn, lux@hust.edu.cn

^b Institute of Molecular Science & Applied Chemistry, School of Chemistry, Xi'an Jiaotong University, Xi'an 710049, China
E-mail: xzhao@mail.xjtu.edu.cn

Abstract

Two Lu₂O@C₈₀ isomers have been successfully isolated and unambiguously assigned as Lu₂O@C₁(31876)-C₈₀ and Lu₂O@C_2v(5)-C₈₀, respectively, by X-ray crystallography. Interestingly, C₁(31876)-C₈₀ is an unprecedented cage with a pair of adjacent pentagons, which can be closely connected with C_2v(5)-C₈₀via a two-step Stone–Wales transformation. More importantly, the C₁(31876)-C₈₀ cage is a key point in the transformation map of oxide cluster fullerenes, filling the vacancy in the formation process.

This article is part of the themed collection: FOCUS: Metal and Metal-Containing Clusters

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Article information

DOI: https://doi.org/10.1039/D2QI00410K
Article type: Research Article
Submitted: 23 Feb 2022
Accepted: 25 Mar 2022
First published: 25 Mar 2022

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Inorg. Chem. Front., 2022,9, 2264-2270

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An unprecedented C₈₀ cage that violates the isolated pentagon rule

P. Yu, M. Li, W. Shen, S. Hu, P. Yu, X. Tian, X. Zhao, L. Bao and X. Lu, Inorg. Chem. Front., 2022, 9, 2264 DOI: 10.1039/D2QI00410K

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