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Carolina Estarellas, Dr. David Quiñonero, Prof. Dr. Pere M. Deyà and Prof. Antonio Frontera Anion–π Interactions Involving [MXn]m− Anions: A Comprehensive Theoretical Study ChemPhysChem 14

Version of Record online: 10 OCT 2012 | DOI: 10.1002/cphc.201200654

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Lay it down: A systematic study on the geometric and energetic features of anion–π complexes, wherein the anion is a metal complex of a variety of different shapes and charges, is performed (see picture). The influence of [MXn]m on the anion–π interaction and how the binding energy depends on the coordination index, the geometric features, and the different orientations adopted by the metallic anion are analyzed.

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