An Unprecedented C80 Cage That Violates The Isolated Pentagon Rule

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: [email protected], [email protected]

b Institute of Molecular Science & Applied Chemistry, School of Chemistry, Xi'an Jiaotong University, Xi'an 710049, China E-mail: [email protected]

Abstract

Two Lu2O@C80 isomers have been successfully isolated and unambiguously assigned as Lu2O@C1(31876)-C80 and Lu2O@C2v(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 C2v(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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