title: A predicted organometallic series following a 32-electron principle: An@C28 (An = Th, Pa+, U2+, Pu4+).
abstract: The spectroscopic and thermodynamic properties of the molecules M@C28 (M = Ce, Th, Pa+, U2+, Pu4+) are calculated using density functional theory. The systems have considerable energetic stability. It is shown that the actinide cases can be classified as "32-electron" systems, using the bonding s-, p-, d-, and f-type orbitals of the central metal. The rest of the valence molecular orbitals have purely carbon character.
authors.affiliation: CEA/Saclay, DSM/DRECAM/SCM, 91191 Gif-sur-Yvette, France.
authors.forename: Jean-Pierre
authors.initials: JP
authors.lastname: Dognon
authors.forename: Carine
authors.initials: C
authors.lastname: Clavaguéra
authors.forename: Pekka
authors.initials: P
authors.lastname: Pyykkö