Abstract
We report a new candidate B10O with the transition-metal-like boron atom in the boron monoxide clusters family. It adopts an umbrella architecture with a structural configuration of B8-B-BO. Significantly, the central boron atom is coordinated with both arene analog (B8) and carbonyl analog (BO), demonstrating its transition-metal property. Chemical bonding analyses suggest that the upper B9 (B8-B) possesses the double (6σ + 6π) aromaticity, which gives rise to the extraordinary stability of B10O molecular umbrella. As a dynamically stabilized global minimum, the neutral B10O molecular umbrella is promising to be synthesized in the condensed phase.
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