Aromaticity and electronic structure of silabenzenes. Possible existence of a new cluster Si6Li6

The electronic structure and properties of a silabenzene series have been studied using a bifurcation analysis of the σ and π separated new electron localization functions, ELF. In all studied molecules a strong π interaction has been found which is independent of a weak σ interaction. Finally, a new aromatic species, Si6Li6, is reported. Its electronic delocalization and stability is evaluated by cation–aromatic system interaction.