Quantum chemical prediction of a superelectrophilic dianion and its binding with noble gas atoms.

The present communication shows an unprecedented superelectrophilic behaviour of dianion [BeB11(CN)11]2-, containing a positively charged electrophilic center embedded in a negatively charged framework. This dianion is shown to form stable [NgBeB11(CN)11]2- (Ng = He, Ne, Ar, Kr and Xe) compounds associated with either a Ng-Be or Ng-B bond. The dianion [BeB11(CN)11]2- binds covalently with Ar, Kr and Xe via its uncoordinated B atom.