Unusual Bonding in Platinum Carbido Clusters.
Vibrational spectroscopy and density functional theory calculations are used to determine the structures of small gas-phase platinum carbido clusters PtnC(+), n = 3-5. The carbon atom is found to prefer three-coordinate binding sites near the center of the cluster, 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.
†Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, D-14195 Berlin, Germany.|‡Institut für Physikalische Chemie, Georg-August-Universität Göttingen, Tammannstrasse 6, D-37077 Göttingen, Germany.|§Dept. of Dynamics at Surfaces, Max-Planck-Institut für biophysikalische Chemie, Am Fassberg 11, D-37077 Göttingen, Germany.
Dan J
DJ
Harding
†Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, D-14195 Berlin, Germany.
Christian
C
Kerpal
†Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, D-14195 Berlin, Germany.
Gerard
G
Meijer
†Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, D-14195 Berlin, Germany.|∥Institut für Optik und Atomare Physik, Technische Universität Berlin, Hardenbergstrasse 36, D-10623, Germany.
André
A
Fielicke
DFT; global optimization; metal carbide; structure determination; vibrational spectroscopy