A concentric planar doubly π-aromatic B cluster.
摘要：
Atomic clusters often show unique, size-dependent properties and have become a fertile ground for the discovery of novel molecular structures and chemical bonding. Here we report an investigation of the Bcluster, which shows chemical bonding reminiscent of that in [10]annulene (CH) and [6]circulene (CH). Photoelectron spectroscopy reveals a relatively simple spectrum for B, with a high electron-binding energy. Theoretical calculations show that the global minimum of Bis a nearly circular planar structure with a central Bpentagonal unit bonded to an outer Bring. Chemical bonding analyses reveal that the Bcluster possesses a unique double π-aromaticity in two concentric π-systems, with two π-electrons delocalized over the central pentagonal Bunit and another ten π-electrons responsible for the π-bonding between the central pentagonal unit and the outer ring. Such peculiar chemical bonding does not exist in organic compounds; it can only be found in atomic clusters.
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DOI：
10.1038/nchem.534
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年份：
2010
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