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Unusual bonding in platinum carbido clusters

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Harding,  Daniel
Department of Dynamics at Surfaces, MPI for Biophysical Chemistry, Max Planck Society;
Molecular Physics, Fritz Haber Institute, Max Planck Society;
Institut für Physikalische Chemie, Georg-August-Universität Göttingen;

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Kerpal,  Christian
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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Fielicke,  André
Molecular Physics, Fritz Haber Institute, Max Planck Society;
Institut für Optik und Atomare Physik, Technische Universität Berlin;

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Citation

Harding, D., Kerpal, C., Meijer, G., & Fielicke, A. (2013). Unusual bonding in platinum carbido clusters. The Journal of Physical Chemistry Letters, 4(6), 892-896. doi:10.1021/jz400256d.


Cite as: https://hdl.handle.net/11858/00-001M-0000-0014-52D5-D
Abstract
Vibrational spectroscopy and density functional theory calculations are used to determine the structures of small gas-phase platinum carbido dusters PtnC+, n = 3-5. The carbon atom is found to prefer three-coordinate binding sites near the center of the duster, in contrast to most previously investigated adatoms on transition metal clusters. The Pt3C unit is particularly stable, and binding of the carbon atom also leads to significant rearrangement of the metal framework when compared to the bare clusters.