Formation of Metal-Encapsulating Si Cage Clusters
Year: 2001
Type: article
Abstract: We report the formation of a series of metal-containing hydrogenated silicon clusters using an ion trap. Mass analyses reveal that many types of transition metal ions ${M}^{+}$ ( $M\phantom{\rule{0ex}{0ex}}=\phantom{\rule{0ex}{0ex}}\mathrm{Hf}$, Ta, W, Re, Ir, etc.) react with silane $({\mathrm{SiH}}_{4})$ to form dehydrogenated $M{\mathrm{Si}}_{n}^{\phantom{\rule{0ex}{0ex}}+}$ cluster ions ( $n\phantom{\rule{0ex}{0ex}}=\phantom{\rule{0ex}{0ex}}14$, 13, 12, 11, 9, respectively) as an end product, indicating that the metal atom is endohedral and stabilizes the Si polyhedral cage. This finding is confirmed by our ab initio calculation that ${\mathrm{WSi}}_{12}$ is a W-encapsulating ${\mathrm{Si}}_{12}$ cage cluster, and is very stable owing to both the electronic and the geometrical shell closures.
Source: Physical Review Letters
Language: English
Subfield: Inorganic Chemistry
Field: Chemistry
Domain: Physical Sciences
Open Access status: green
OpenAlex ID: W2041512102