Formation of metal-encapsulating Si cage clusters
Formation of metal-encapsulating Si cage clusters
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DOI：
10.1103/physrevlett.86.1733
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发表时间：
2001-02-26
影响因子：
8.6
通讯作者：
Kanayama, T
中科院分区：
文献类型：
--
作者：
Hiura, H;Miyazaki, T;Kanayama, T
我们报道了一系列含金属氢化硅团簇的形成使用离子阱。质量分析表明，许多类型的过渡金属离子M+（M = Hf。Ta、W、Re、Ir等）与硅烷（SiH 4）反应形成脱氢的MSin+簇离子（n = 14，13，12，11，9）作为最终产物，表明金属原子是内配体的并且稳定Si多面体笼。这一发现证实了我们的nb initio计算，WSi 12是一个W-β-Si-12笼状团簇，是非常稳定的，由于电子和几何壳封闭。
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 = Hf. Ta, W, Re, Ir, etc.) react with silane (SiH4) to form dehydrogenated MSin+ cluster ions (n = 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 nb initio calculation that WSi12 is a W-encapsulatine Si-12 cage cluster, and is very stable owing to both the electronic and the geometrical shell closures.