A computational study of the arsabenzenes: Structure, properties and aromaticity

The structure and properties of the arsabenzenes series have been investigated using B3LYP theory. Measures of aromatic character derived from structure, molecular orbital and chemical shift. Energetic criteria suggest that As123, As12 and As1234 enjoy conspicuous stabilization. By magnetic criteria, these systems are among the least aromatic. As13, As135, and As1235 isomers are the most aromatic using magnetic criteria.