Arsacyclopentadienyl anions: Structure, properties and aromaticity

Article type: Research Article

Authors: Ghiasi, Reza

Affiliations: Department of Chemistry, East Tehran Branch (Ghiam Dasht), Islamic Azad University, Tehran, Iran

Note: [] Corresponding author. E-mail: [email protected]

Abstract: The electronic structure and properties of a series of Arsacyclopentadienyl anions have been investigated using hybrid density functional B3LYP theory. Basic measurements of aromatic character are derived from structure, molecular orbital and magnetic properties. Energetic criteria suggest that the As12 and As123 isomers favor conspicuous stabilization in di-arsa and tri-arsa isomers, respectively. By magnetic criteria, these systems are among the most aromatic of the family. Bond order analyses reveal that they derive part of their stability from ionic contributions to the bonding. Overall, magnetic aromaticity decreases with increasing number of As atoms.

Keywords: Aromaticity, Arsenic, Arsacyclopentadienyls anions, Density function theory

DOI: 10.1080/10241220701414759

Journal: Main Group Chemistry, vol. 5, no. 3, pp. 153-161, 2006