Aromatic cages B 0/+42: unprecedented existence of octagonal holes in boron clusters†
Abstract
The cage-like structures containing octagonal holes are located as the lowest-lying isomers for the B0/+42. The presence of octagonal holes, which have been found for the first time, not only gives us new insight into the bonding motif, but also marks a breakthrough in the structural characteristics of boron clusters since they were never expected to be stable units for elemental clusters. These cages are composed of both delocalized σ and π electron systems that consequently make them aromatic and thermodynamically stable.
- This article is part of the themed collection: Electron delocalization and aromaticity: 150 years of the Kekulé benzene structure
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