Chemical properties of the predicted 32-electron systems Pu@Sn12 and Pu@Pb12

The electronic structures, as well as spectroscopic and thermodynamic properties of the title Pu@M12 clusters, are considered at the density functional theory level. In both cases, a Pu2+ ion is encapsulated in an icosahedral, stanna- or plumbaspherene M122− cage. As suggested before for M = Pb, both systems are reported to follow a 32-electron principle for the central atom.