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The Far-Infrared Spectra of Neutral and Cationic Niobium Clusters: Nb50/+ to Nb90/+

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

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Ratsch,  Christian
Theory, Fritz Haber Institute, Max Planck Society;

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Helden,  Gert von
Molecular Physics, Fritz Haber Institute, Max Planck Society;

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

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321137.pdf(Fielicke).pdf
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Zitation

Fielicke, A., Ratsch, C., Helden, G. v., & Meijer, G. (2007). The Far-Infrared Spectra of Neutral and Cationic Niobium Clusters: Nb50/+ to Nb90/+ . Journal of Chemical Physics, 127, 234306-1-234306-8. doi:10.1063/1.2806176.


Zitierlink: http://hdl.handle.net/11858/00-001M-0000-0011-0263-A
Zusammenfassung
Far-infrared absorption spectra of small neutral and cationic niobium clusters containing 5 to 9 Nb atoms have been obtained by multiple photon dissociation spectroscopy of their argon complexes. The experimental far-IR spectra are recorded in the 85–600 cm-1 region and cover the range of the structure-specific vibrational fundamentals, i.e., the finger-print range, for these metal clusters. The experiments are accompanied by quantum chemical calculations employing density-functional theory. A comparison of the experimental and calculated far-IR spectra spectra allows to identify the cluster structures. Although the experimental spectra for clusters containing 5, 6, 8, and 9 Nb atoms are very different for cationic and neutral clusters, the comparison with theory reveals that, nevertheless, the overall geometries for cations and neutrals are very similar, except for Nb60/+