星团(航天器)
卤素
从头算
Atom(片上系统)
电子结构
原子物理学
结晶学
幻数(化学)
物理
化学
分子物理学
化学物理
计算化学
嵌入式系统
烷基
程序设计语言
有机化学
量子力学
计算机科学
作者
Denis E. Bergeron,A. W. Castleman,Tsuguo Morisato,Shiv N. Khanna
出处
期刊:Science
[American Association for the Advancement of Science (AAAS)]
日期:2004-04-01
卷期号:304 (5667): 84-87
被引量:579
标识
DOI:10.1126/science.1093902
摘要
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 Al 13 I – . 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.
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