Structure of Magnetic Lanthanide Clusters from Far-IR Spectroscopy: Tb (n = 5-9)

Abstract

Small lanthanide clusters have interesting magnetic properties, but their structures are unknown. We have identified the structures of small terbium cluster cations Tb (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.

arXiv comment4 pages, 3 figures

References in corpus (4)

• Global Optimization by Basin-Hopping and the Lowest Energy Structures of Lennard-Jones Clusters Containing up to 110 Atoms
• Quantum tunneling of magnetization in lanthanide single-molecule magnets, bis(phthalocyaninato)terbium and bis(phthalocyaninato)-dysprosium anions
• The Structure of Rh${}_8^{+}$ in the Gas Phase
• Structure of Magnetic Lanthanide Clusters from Far-IR Spectroscopy: Tb (n = 5-9)

Cited by in corpus (2)

• Magnetism and exchange interaction of small rare-earth clusters; Tb as a representative
• Structure of Magnetic Lanthanide Clusters from Far-IR Spectroscopy: Tb (n = 5-9)