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

Jean-Pierre Dognon (1) , Carine Clavaguéra (2) , P. Pyykkö (3)

1 LCCEf - Laboratoire de Chimie de Coordination des Eléments f (LCF)
2 DCMR - Laboratoire des mécanismes réactionnels
3 Department of Chemistry

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.

Domaines: Chimie théorique et/ou physique

Jean-Pierre Dognon, Carine Clavaguéra, P. Pyykkö. Chemical properties of the predicted 32-electron systems Pu@Sn12 and Pu@Pb12. Comptes Rendus. Chimie, 2010, 13 (6-7), pp.884-888. ⟨10.1016/j.crci.2010.05.012⟩. ⟨hal-00904593⟩