A Topological Analysis of the Electron Density in Anion–π Interactions

Abstract

Novel nonbonding interaction: The “atoms in molecules” (AIM) and the molecular interaction potential with polarization (MIPp) tools are successfully used i) to predict the energetic characteristics of π complexes of the chloride anion with electron-deficient aromatic rings (see graphic), which have a positive quadrupole moment and ii) to analyze the physical nature of this novel nonbonding interaction in detail.