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

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 predic...

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Published inChemical communications (Cambridge, England) Vol. 56; no. 83; pp. 12597 - 12599
Main Authors Kalita, Amlan J, Rohman, Shahnaz S, Kashyap, Chayanika, Ullah, Sabnam S, Guha, Ankur K
Format Journal Article
LanguageEnglish
Published Cambridge Royal Society of Chemistry 25.10.2020
Subjects
Aromaticity
Boron
Cartesian coordinates
Clusters
Room temperature
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Summary: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.
Bibliography:ObjectType-Article-1
SourceType-Scholarly Journals-1
ObjectType-Feature-2
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ISSN:1359-7345
1364-548X
DOI:10.1039/d0cc05668e