Analysis of the electronic delocalization in some isoelectronic analogues of B12 doped with beryllium and/or carbon

Isoelectronic substitutions (B → Be⁻ and B → C⁺) were carried out in the B₁₂ cluster and a new set of compounds was proposed. Changes in the molecular (bowl-shaped) and electronic (disk aromaticity) structure due to substitution were analyzed.