Planar Pentacoordinate Nitrogen in a Pseudo-Double-Aromatic NBe5H4+ Cluster

Inorg Chem. 2020 Dec 21;59(24):17880-17883. doi: 10.1021/acs.inorgchem.0c03045. Epub 2020 Dec 10.

Abstract

High-level quantum-chemical calculations have been used to predict a cationic ternary NBe5H4+ cluster containing a planar pentacoordinate nitrogen atom. The proposed cluster has pseudo dual aromaticity and is kinetically and thermodynamically very stable.