Formation of Al13I-:: Evidence for the superhalogen character of Al13
Formation of Al13I-:: Evidence for the superhalogen character of Al13
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DOI：
10.1126/science.1093902
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发表时间：
2004-04-02
期刊：
影响因子：
56.9
通讯作者：
Khanna, SN
中科院分区：
文献类型：
--
作者：
Bergeron, DE;Castleman, AW;Khanna, SN
Al-13（-）是一个以其几何壳层和电子壳层的重合闭合而产生的显著稳定性而闻名的星系团。我们目前的实验证据，一个非常稳定的集群对应的Al 13 I-。从头计算结果表明，该团簇具有结构未扰动的Al-13（-）核心和高电荷密度的区域上的铝顶点相对于碘原子。这种离子束缚的幻数簇可以通过考虑Al-13具有使人联想到卤素原子的电子结构来理解。与多卤化物的比较为我们的化学观察提供了合理的解释。
Al-13(-) is a cluster known for the pronounced stability that arises from coincident closures of its geometric and electronic shells. We present experimental evidence for a very stable cluster corresponding to Al13I-. Ab initio calculations show that the cluster features a structurally unperturbed Al-13(-) core and a region of high charge density on the aluminum vertex opposite from the iodine atom. This ionically bound magic cluster can be understood by considering that Al-13 has an electronic structure reminiscent of a halogen atom. Comparisons to polyhalides provide a sound explanation for our chemical observations.