Understanding the bonding and aromaticity of [Au3{C4H4(X)4E}3]− (X = CF3, CN, BO; E = Si, Ge): trinuclear gold superhalogens

Abstract

The first Principal study on [Au3{C4H4(X)4E}3]− (X = CF3, CN, BO; E = Si, Ge) reveals their superhalogen character with anionic trinuclear Au3 core. Magnetic response calculations based on the magnetically induced current densities and the induced magnetic field confirm the aromatic nature.