Aromatic nature of neutral and dianionic 1,4-diaza-2,3,5,6-tetraborinine derivatives

The parameters relevant to aromaticity of boron-rich inorganic benzene analogues (B4N2R6) have been computationally investigated by using HOMA, ELF, PDI, NICSzz, ACID and ASE.

Modelling aromatisation of (BN)nH2n azabora-annulenes

Although borazine, the ‘inorganic benzene’, is non-aromatic, ab initio calculation, guided by symmetry and electron-counting arguments, indicates that charging up the higher homologue borazocine to the dianionic state gives an aromatic monocycle.