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 favourable well-defined bay region combining a  fragment and a carbonyl moiety flanking a central sulfur atom. A joint theoretical and experimental IRMPD study allowed deciphering the key contribution of the orthogonal phenyl fragment to the elaboration of alkali metal complexes. In combination with Sand CO-interactions, the -cation interaction significantly enhances the binding energies of naphthothiophene derivatives.
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Chemistry - A European Journal, Wiley-VCH Verlag, 2018, 24 (34), pp.8656-8663. 〈10.1002/chem.201800707〉
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https://hal.archives-ouvertes.fr/hal-01890491
Contributeur : Jean-Yves Salpin <>
Soumis le : lundi 8 octobre 2018 - 16:29:11
Dernière modification le : jeudi 22 novembre 2018 - 13:56:03

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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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