Datensatz

Zusammenfassung

Small lanthanide clusters have interesting magnetic properties, but their
structures are unknown. We have identified the structures of small terbium
cluster cations Tb_n⁺ (n = 5-9) in the gas phase, by analysis of their vibrational
spectra. The spectra have been measured via IR multiple photon dissociation of
their complexes with Ar atoms in the 50-250 1/cm range with an infrared free
electron laser. Density functional theory calculations using a 4f-in-core
effective core potential (ECP) accurately reproduce the experimental far-IR
spectra. The ECP corresponds to a 4f⁸5d¹6s² trivalent configuration of terbium.
The assigned structures are similar to those observed in several other
transition metal systems. From this, we conclude that the bonding in Tb
clusters is through the interactions between the 5d and 6s electrons, and that
the 4f electrons have only an indirect effect on the cluster structures.