Unprecedented stability enhancement of multiply charged anions through decoration with negative electron affinity noble gases

Abstract

The present communication reports unprecedented stabilization of multiply charged anion, B₁₂F₁₂²⁻, through insertion of noble gas (Ng) atoms possessing negative electron affinity into B–F bonds, resulting in the formation of stable icosahedral B₁₂Ng₁₂F₁₂²⁻, where the HOMO is stabilized significantly and the binding energy of the second excess electron is increased remarkably. Unprecedented stability enhancement with Ng is attributed to a strong covalent B–Ng bond, increased charge delocalization and increased electrostatic interaction between the oppositely charged centers.