金属团簇中的开壳层电子气芳香性
Open-shell jellium aromaticity in metal clusters.
作者信息
Poater Jordi, Solà Miquel
机构信息
Departament de Química Inorgànica i Orgànica & Institut de Química Teòrica i Computacional (IQTCUB), Universitat de Barcelona, Martí i Franquès 1-11, 08028 Barcelona, Catalonia, Spain.
出版信息
Chem Commun (Camb). 2019 May 9;55(39):5559-5562. doi: 10.1039/c9cc02067e.
PMID:30997449
Abstract
The 2N2 + 2N + 1 with S = N + 1/2 rule represented the extension to open-shell spherical compounds of the 2(N + 1)2 Hirsch rule for spherical aromatic species. In this work, we provide evidence that the jellium model with its magic numbers can also be extended to open-shell half-filled systems.
摘要
具有S = N + 1/2规则的2N² + 2N + 1表示将适用于球形芳香族物种的2(N + 1)²赫希规则扩展到开壳层球形化合物。在这项工作中，我们提供了证据表明具有幻数的电子气模型也可以扩展到开壳层半充满体系。
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