CBe2H5−: Unprecedented 2σ/2π Double Aromaticity and Dynamic Structural Fluxionality in a Planar Tetracoordinate Carbon Cluster

• Published in: Chemistry : a European journal Vol. 30; no. 15
• Main Authors: Jin, Bo, Yan, Miao, Feng, Lin‐Yan, Miao, Chang‐Qing, Wang, Ying‐Jin
• Format: Journal Article
• Language: English
• Published: Weinheim Wiley Subscription Services, Inc 12.03.2024
• Subjects: Aromaticity; Beryllium; Carbon; Clusters; Covalent bonds; Dynamic Fluxionality; Electronic structure; Global Minimum; Hydrogen atoms; Ligands; Molecular motors; Molecular Rotor; Planar Tetracoordinate Carbon; Structural analysis

A 14‐electron ternary anionic CBe2H5− cluster containing a planar tetracoordinate carbon (ptC) atom is designed herein. Remarkably, it can be stabilized by only two beryllium atoms with both π‐acceptor/σ‐donor properties and two hydrogen atoms, which means that the conversion from planar methane (tr...