Double aromaticity in a BBe<sub>6</sub>H<sub>6</sub><sup>+</sup>cluster with a planar hexacoordinate boron structure
Amlan J. Kalita, Shahnaz S. Rohman, Chayanika Kashyap, Sabnam S. Ullah, Ankur K. Guha
Abstract
Aromaticity is one of the central concepts in chemistry and stabilizes many clusters that have interesting structural motifs. Herein, a cationic BBe6H6 cluster featuring a planar hexacoordinate boron structure stabilized by 2π/6σ double aromaticity was predicted theoretically. The cluster was predicted to be dynamically stable well above room temperature.
Topics & Concepts
HexacoordinateAromaticityBoronPlanarCluster (spacecraft)ChemistryCrystallographyComputational chemistryMoleculeOrganic chemistrySiliconComputer scienceProgramming languageComputer graphics (images)Synthesis and Properties of Aromatic CompoundsBoron and Carbon Nanomaterials ResearchAdvanced NMR Techniques and Applications