An unprecedented C80 cage that violates the isolated pentagon rule
Pengwei Yu+, Mengyang Li+, Wangqiang Shen, Shuaifeng Hu, Pengyuan Yu, Xinyue Tian, Xiang Zhao*, Lipiao Bao* and Xing Lu*
https://doi.org/10.1039/D2QI00410K
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)-C80 via a two-step Stone-Wales transformation. More importantly, C1(31876)-C80 cage is a key point in the transformation map of oxide cluster fullerenes, filling the vacancy in the formation process.
