Planar pentacoordinate carbon in a sulphur-surrounded boron wheel: the global minimum of CB<sub>5</sub>S<sub>5</sub><sup>+</sup>
Rui Sun, Bo Jin, Bin Huo, Caixia Yuan, Hua‐Jin Zhai, Yan‐Bo Wu
Abstract
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.
Topics & Concepts
BoronSulfurCarbon fibersPlanarCluster (spacecraft)CrystallographyChemistryElectronElectron deficiencyMaterials scienceAtomic physicsPhysicsOrganic chemistryNuclear physicsComputer graphics (images)Programming languageComposite numberComputer scienceComposite materialBoron and Carbon Nanomaterials ResearchOrganoboron and organosilicon chemistryBoron Compounds in Chemistry