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

MPG-Autoren
http://pubman.mpdl.mpg.de/cone/persons/resource/persons21397

Bowlan,  John
Molecular Physics, Fritz Haber Institute, Max Planck Society;

http://pubman.mpdl.mpg.de/cone/persons/resource/persons21601

Harding,  Daniel J.
Molecular Physics, Fritz Haber Institute, Max Planck Society;

http://pubman.mpdl.mpg.de/cone/persons/resource/persons21859

Meijer,  Gerard
Molecular Physics, Fritz Haber Institute, Max Planck Society;

http://pubman.mpdl.mpg.de/cone/persons/resource/persons21506

Fielicke,  André
Molecular Physics, Fritz Haber Institute, Max Planck Society;

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1211.6309v1.pdf
(beliebiger Volltext), 3MB

1.4776768.pdf
(Verlagsversion), 844KB

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Zitation

Bowlan, J., Harding, D. J., Jalink, J., Kirilyuk, A., Meijer, G., & Fielicke, A. (2013). Communication: Structure of Magnetic Lanthanide Clusters from Far-IR Spectroscopy: Tbn+ (n = 5-9). The Journal of Chemical Physics, 138(3): 031102. doi:10.1063/1.4776768.


Zitierlink: http://hdl.handle.net/11858/00-001M-0000-000E-960E-C
Zusammenfassung
Small lanthanide clusters have interesting magnetic properties, but their structures are unknown. We have identified the structures of small terbium cluster cations Tbn+ (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.