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

Abstract : 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 M2-12 cage. As suggested before forM= Pb, both systems are reported to follow a 32-electron principle for the central atom. © 2010 Académie des sciences. Published by Elsevier Masson SAS. All rights reserved.
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Jean-Pierre Dognon, Carine Clavaguéra, P. Pyykkö. Chemical properties of the predicted 32-electron systems Pu@Sn12 and Pu@Pb12. Comptes Rendus Chimie, Elsevier Masson, 2010, 13 (6-7), pp.884-888. ⟨10.1016/j.crci.2010.05.012⟩. ⟨hal-00904593⟩

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