Communication: The structures of small cationic gas-phase platinum clusters.
The structures of small platinum clusters Pt(3-5)(+) are determined using far-infrared multiple photon dissociation spectroscopy of their argon complexes combined with density functional theory calculations. The clusters are found to have compact structures, and Pt(4)(+) and Pt(5)(+) already favor three-dimensional geometries, in contrast to a number of earlier predictions. Challenges in applying density functional theory to 3rd row transition metal clusters are addressed. Preliminary calculations suggest that the effects of spin-orbit coupling do not change the favoured lowest-energy isomers.
Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, D-14195 Berlin, Germany.
Dan J
DJ
Harding
Christian
C
Kerpal
David M
DM
Rayner
André
A
Fielicke