Heptagon-Containing U@C78 Fullerene

First stable nonclassical C78

First nonclassical C78 fullerene that is thermodynamically stable, featuring a heptagon in its cage and linked to classical isomers via Stone-Wales transformations.

Zheng, Hong · Huai-Fan, Li · Zhao, Xiang

Journal of Physical Chemistry A 2023

Advantages

M@C1(id7)-C78 is the first nonclassical C78 fullerene to exist stably

Both U and Th atoms transfer four electrons to the C78 cage

Actinide metals preferentially bond to sumanene-type hexagonal rings