Topologic and electronic density driven generation of alkali cation complexes

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 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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Submitted on : Monday, October 8, 2018 - 4:29:11 PM
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Hamza Boufroura, Salomé Poyer, Anne Gaucher, Cécile Huin, Jean-Yves Salpin, et al.. Topologic and electronic density driven generation of alkali cation complexes. Chemistry - A European Journal, Wiley-VCH Verlag, 2018, 24 (34), pp.8656-8663. ⟨10.1002/chem.201800707⟩. ⟨hal-01890491⟩

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