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Elsevier, Chemical Physics Letters, 5-6(382), p. 534-540

DOI: 10.1016/j.cplett.2003.10.056

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Anion-π interactions in five-membered rings: A combined crystallographic and ab initio study

Journal article published in 2003 by Carolina Garau, Antonio Frontera ORCID, David Quiñonero, Pau Ballester ORCID, Antonio Costa ORCID, Pere M. Deyà
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This paper is available in a repository.

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Abstract

We have carried out searches on the Cambridge Structural Database in order to find anion-π contacts in five-membered aromatic rings. The results indicate that anion-π interactions are possible between anions and the cyclopentadienyl ligand in η5-transition metal complexes. Ab initio calculations confirm the suitability of the interaction.