First principles calculations demonstrate heterocyclic superhalogens as building blocks for aromatic superacids and Lewis super acids.

No abstract

In quest of a Zintl ion-based Lewis superacids, Al­(Ge9L3)3 {L= H, CH3, CHO and CN} compounds have been designed and their properties have been studied within the framework of conceptual density functional theory-based reactivity descriptors. Superacid property has been identified for these complexes as per the fluoride ion affinity (FIA) values. Studies reveal that Al­[Ge9(CN)3]3 and Al­[Ge9(CH3)3]3 behave like superacids as their FIA exceeds the value of SbF5, which is considered as the strongest Lewis acid. It has been observed that the ligand plays an important role in reactivity as well as in Lewis acidic property.