| PHYSICS OF GASES, PLASMAS, AND ELECTRIC DISCHARGES |
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Electronic shell study of prolate Lin(n =15-17) clusters: Magnetic superatomic molecules |
| Lijuan Yan(闫丽娟)†, Jianmei Shao(邵健梅), and Yongqiang Li(李永强)‡ |
| College of Electronics & Information Engineering, Guangdong Ocean University, Zhanjiang 524088, China |
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Abstract The non-spherical lowest-lying Lin (n=15-17) isomers were found with high symmetric compact structures, of which the stability was not rationalized in a previous report (J. Chem. Phys. 119 9444 (2003)). Based on the newly proposed super-valence bond model, the three prolate lithium clusters can be viewed as magnetic superatomic molecules, which are composed by sharing valence electron pairs and nuclei between two superatom units, namely, Li10 or Li11, and thus their stability can be given a good understanding. Molecular orbital and chemical bonding analysis clearly reveal that the Lin (n=15-17) clusters with prolate shapes are magnetic superatomic molecules. Our work may aid in the developments of the cluster-assembled materials or superatom-bonds.
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Received: 03 August 2020
Revised: 25 August 2020
Accepted manuscript online: 09 September 2020
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PACS:
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51.60.+a
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(Magnetic properties)
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31.15.ae
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(Electronic structure and bonding characteristics)
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31.15.A-
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(Ab initio calculations)
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31.15.xw
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(Valence bond calculations)
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| Fund: Project supported by the PhD Starting Fund of Guangdong Ocean University (Grant No. 120702/R17077) and the National Natural Science Foundation of China (Grant No. 11704080). |
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Corresponding Authors:
†Corresponding author. E-mail: ylj_gdou@126.com ‡Corresponding author. E-mail: lyq196399@163.com
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Cite this article:
Lijuan Yan(闫丽娟), Jianmei Shao(邵健梅), and Yongqiang Li(李永强) Electronic shell study of prolate Lin(n =15-17) clusters: Magnetic superatomic molecules 2020 Chin. Phys. B 29 125101
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