Alkali-metal coating: an effective method to inject electrons into cage molecules and achieve direct metal–metal bonds and spherical aromaticity for endohedral metallofullerenes

Abstract

Perfluorocubane (C8F8) has a hollow cage structure which can store an electron upon electrochemical reduction. Similarly, fullerenes can encapsulate various metallic species inside their cages to form endohedral metallofullerenes (EMFs),...

The smallest endohedral borafullerene: structural isomerization, electronic properties, aromaticity and reactivity of U@C27B

“…99 Herein, the U atom serves as a six-electron donor in return to help fulfill the required π electron count of the outer cage. 100 For comparison, the corresponding 1S 2 1P 6 1D 10 1F 14 orbitals of U@ T d -C 27 B + are lower in energy than the neutral one (Fig. 8a).…”