Evaluating Aromaticity in Ag 6 Ru and Ag 10 Ru as Electron‐Precise Superatom Clusters

Herein, the superatomic characteristics of the favorable global minima of electron precise clusters are evaluated, leading to stable species featuring catalytic reactive sites and inherent aromaticity in both planar and spherical realms. The results show that Ag 6 Ru exhibits an electron‐precise ten‐electron 1S 2 1Px , y 4 $_{x , y}^{4}$ 1Dx y , x 2 − y 2 4 $$ {}_{xy,{x}^{2}-{y}^{2}}^{4}$$ planar superatomic electron shell structure, related to the 1S 2 1P 6 1D 10 18‐electron structure of the spherical Ag 10 Ru cluster, involving seven and ten reactive sites. The favorable electronic structure in such related clusters exhibits diatropic ring currents and long‐range shielded regions, supporting the respective planar‐ and 3D aromatic character. Hence, further planar and 3D relationship between electron precise clusters may trigger a fundamental rationalization in finding stable and useful targets for undergoing catalytic activity for reactions such as oxygen reduction reaction, extending similarities between different cluster shapes at certain sizes.