Planar Pentacoordinate Nitrogen in a Pseudo-Double-Aromatic NBe<sub>5</sub>H<sub>4</sub><sup>+</sup> Cluster
Amlan J. Kalita, Shahnaz S. Rohman, Chayanika Kashyap, Sabnam S. Ullah, Indrani Baruah, Ankur K. Guha
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.
Topics & Concepts
ChemistryCluster (spacecraft)PlanarCationic polymerizationTernary operationAromaticityNitrogenNitrogen atomQuantum chemicalCrystallographyAtom (system on chip)Electron countingComputational chemistryMoleculeOrganic chemistryElectronRing (chemistry)Quantum mechanicsComputer graphics (images)PhysicsProgramming languageComputer scienceEmbedded systemBoron and Carbon Nanomaterials ResearchInorganic Chemistry and MaterialsHydrogen Storage and Materials