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Topology and Electronic Density Driven Generation of Alkali Cation Complexes
Author(s) -
Boufroura Hamza,
Poyer Salomé,
Gaucher Anne,
Huin Cécile,
Salpin JeanYves,
Clavier Gilles,
Prim Damien
Publication year - 2018
Publication title -
chemistry – a european journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.687
H-Index - 242
eISSN - 1521-3765
pISSN - 0947-6539
DOI - 10.1002/chem.201800707
Subject(s) - infrared multiphoton dissociation , alkali metal , chemistry , moiety , cooperativity , dissociation (chemistry) , crystallography , stereochemistry , topology (electrical circuits) , computational chemistry , organic chemistry , biochemistry , mathematics , combinatorics
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.