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

Abstract

Carbene and its analogous silylene and germylene ligated trinuclear gold complexes are well established due to their cationic stability, but the anionic stability of such complexes is still rare. Density...

Multiconfigurational actinide nitrides assisted by double Möbius aromaticity

“…89 In this regard, the negative NICS values for Ac 2 N 2 may just be a coincidence. In contrast, the global diamagnetic induced ring-current is believed to be a more reliable criterion for aromaticity in heavy metal clusters, 90–93 and has been well-validated in a comprehensive theoretical work by Orozco-Ic et al very recently. 94 Therefore, we performed rigorous ring-current analyses.…”