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Photoelectron spectroscopy and quantum chemistry studies are used to investigate the structure and bonding of AuB8. Global minimum sturctural searches show that AuB8 possesses a chair-like structure, which can be viewed as Au+ bonded to the edge of the doubly-aromatic B82− borozene, Au+2-B82−]. Chemical bonding analyses reveal that the AuB8 is a novel borozene complex with unique Au–borozene bonding.

Graphical abstract: AuB8−: an Au–borozene complex

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