Analogy of silicon clusters with deltahedral boranes: How far can it go? Reexamining the structure of Si-n and Si-n(2-), n=5-13 clusters

作者：Zdetsis Aristides D^*

来源：Journal of Chemical Physics, 2007, 127(24): 244308.

DOI：10.1063/1.2816138

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.

• 出版日期2007-12-28