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

Carolina Garau(Universitat de les Illes Balears), Antonio Frontera(Universitat de les Illes Balears), David Quiñonero(Universitat de les Illes Balears), Pablo Ballester(Universitat de les Illes Balears), Antoni Costa(Universitat de les Illes Balears), Pere M. Deyà(Universitat de les Illes Balears)
ChemPhysChem
December 8, 2003
Cited by 201

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.


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