Analogy of silicon clusters with deltahedral boranes: how far can it go? Reexamining the structure of Sin and Sin 2-, n=5-13 clusters.
Silicon clusters of 5 up to 13 atoms, Si(n), n=5-13, and their dianions are studied in the light of an anticipated analogy with the corresponding isoelectronic boranes suggested recently by Zdetsis [J. Chem. Phys. 127, 014314 (2007)]. It is demonstrated that this analogy is a fruitful and powerful concept which allows the straightforward determination of the structures of silicon clusters, based on the structure of corresponding closo-boranes, meeting the requirements of well known structural rules. All lowest-lying structures of Si(n), n=5-13 clusters, have been obtained through a systematic way on the basis of this analogy. For magic clusters, such as Si(6) and Si(10), characterized by special stability, the analogy to boranes seems to be much stronger.
Zdetsis
Aristides D
AD
Department of Physics, University of Patras, Patra GR 26500, Greece. zdetsis@upatras.gr