Stepwise dissociation of ion pairs by water molecules: cationdependent separation mechanisms between carboxylate and alkali-earth metal ions †
Résumé
Michrohydrated H2-tagged ion pairs (Ca 2+ , AcO-)(H2O)n=0-8 and (Ba 2+ , AcO-)(H2O)n=0-5 are investigated by IR photodissociation laser spectroscopy and DFT-D frequency calcualtions. The detailed picture of the first steps of ion dissociation reveals two mechanisms, where water molecules promote dissociation either directly or indirectly depending on the nature of the cation.
Domaines
Chimie théorique et/ou physique
Origine : Fichiers produits par l'(les) auteur(s)