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

Amlan J KalitaShahnaz S RohmanChayanika KashyapSabnam S UllahIndrani BaruahAnkur Kanti Guha
Published in: Inorganic chemistry (2020)
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.
Keyphrases
  • molecular dynamics
  • density functional theory
  • monte carlo
  • amino acid
  • gold nanoparticles
  • reduced graphene oxide
  • electron transfer