In:
The Journal of Chemical Physics, AIP Publishing, Vol. 136, No. 21 ( 2012-06-07)
Kurzfassung:
The structures of small platinum clusters \documentclass[12pt]{minimal}\begin{document}${\rm Pt}_{3-5}^+$\end{document} 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 \documentclass[12pt] {minimal}\begin{document}${\rm Pt}_{4}^+$\end{document} Pt 4+ and \documentclass[12pt]{minimal}\begin{document}${\rm Pt}_{5}^+$\end{document} 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.
Materialart:
Online-Ressource
ISSN:
0021-9606
,
1089-7690
Sprache:
Englisch
Verlag:
AIP Publishing
Publikationsdatum:
2012
ZDB Id:
3113-6
ZDB Id:
1473050-9
