【摘 要】
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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
【机 构】
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College of Electronics&Information Engineering,Guangdong Ocean University,Zhanjiang 524088,China
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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,Li1o 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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