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Double aromaticity in a BBe6H6+ cluster with a planar hexacoordinate boron structure†
Amlan J. Kalita,Shahnaz S. Rohman,Chayanika Kashyap,Sabnam S. Ullah,Ankur K. Guha
Chemical Communications Pub Date : 09/14/2020 00:00:00 , DOI:10.1039/D0CC05668E
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.

Graphical abstract: Double aromaticity in a BBe6H6+ cluster with a planar hexacoordinate boron structure
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