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Topology and Electronic Density Driven Generation of Alkali Cation Complexes

Boufroura, H; Poyer, S; Gaucher, A; Huin, C; Salpin, JY; Clavier, G; Prim, D, Chemistry-A European Journal, 2018, 24, 8656-8663.

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 π 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 π–cation interaction significantly enhances the binding energies of naphthothiophene derivatives.

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Publication

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Paru le 18 juin 2018

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DOI: 10.1002/chem.201800707