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Planar pentacoordinate carbon in a sulphur-surrounded boron wheel: the global minimum of CB5S5.

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We report a σ + π double aromatic CB5S5+ cluster, the first global minimum unusually having a planar hypercoordinate carbon inside a boron wheel. Five peripheral sulfur atoms stabilize the… Click to show full abstract

We report a σ + π double aromatic CB5S5+ cluster, the first global minimum unusually having a planar hypercoordinate carbon inside a boron wheel. Five peripheral sulfur atoms stabilize the carbon-centered boron wheel by weakening the electron deficiency of the boron atoms through strong S → B π back-bonding.

Keywords: carbon; cb5s5; global minimum; boron; boron wheel

Journal Title: Chemical communications
Year Published: 2022

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