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Accueil du site > Production scientifique > Topology and Electronic Density Driven Generation of Alkali Cation Complexes

Topology and Electronic Density Driven Generation of Alkali Cation Complexes

Date de publication: 18 juin

H. Boufroura ; S. Poyer ; A. Gaucher ; C. Huin ; JY. Salpin ; G. Clavier ; D. Prim
Chem. Eur. J. 24 (34) 8656-8663 (2018). DOI

Travail réalisé sur le site de l’Université Paris Sud.

Abstract

The formation and characterization of K+ and Cs+ complexes originating from the cooperativity of three non-covalent interactions is explored. The tridimensional preorganization of the naphthothiophene platform displays a favorable well-defined bay region combining a fragment and a carbonyl moiety flanking a central sulfur atom. A joint theoretical and experimental infrared multiple photon dissociation (IRMPD) study allowed deciphering the key contribution of the orthogonal phenyl fragment to the elaboration of alkali metal complexes. In combination with S and CO interactions, the -cation interaction significantly enhances the binding energies of naphthothiophene derivatives.