ABSTRACT
Herein we have revisited the concept of aromaticity in superatoms within the context of conceptual density functional theory (CDFT). First, we have discussed the stability, reactivity and aromaticity of doped Al clusters (AlC- and AlO –) in the light of electronic structure principles and nucleus-independent chemical shift (NICS) analysis. Further, the effects on the stability of these clusters upon incorporation or withdrawal of electrons or Al atoms are presented. Another new class of aromatic superatom cations (MLi + n+1), which are constructed by considering aromatic clusters as building blocks has been studied. Various properties of these cations such as thermodynamic stability, HOMO-LUMO energy gaps, vertical electron affinities, NICS values, etc. are analysed. Next, we have discussed aromaticity in ligand-stabilised gold-based superatoms with the help of gauge including magnetically induced currents (GIMICs). Finally, we present the concept of spherical aromaticity in experimentally synthesised intermetalloid cluster [Pd 3 Sn 8 Bi 6]4–.
