Theoretical Studies on Lanthanide Cation Extraction by Picolinamides: Ligand–Cation Interactions and Interfacial Behavior - Archive ouverte HAL Accéder directement au contenu
Article Dans Une Revue Solvent Extraction and Ion Exchange Année : 2003

Theoretical Studies on Lanthanide Cation Extraction by Picolinamides: Ligand–Cation Interactions and Interfacial Behavior

Marc Baaden
Frédéric Berny
  • Fonction : Auteur
Rachel Schurhammer
Georges Wipff
  • Fonction : Auteur
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Résumé

We report theoretical investigations on the complexation and liquid-liquid extraction of trivalent lanthanide cations by picolinamide ligands L. The relative contributions of pyridine vs. amide moieties of L and the effect of alkyl substituents are investigated in the gas phase by quantum mechanical calculations. The uncomplexed ligands L with different lipophilic substituents and Eu(NO(3))(3)L(3) complexes are simulated at a water-"oil" interface, where "oil" is modeled by chloroform. The simulations point to the importance of interfacial phenomena in the liquid-liquid extraction of cations by picolinamide ligands and the difference between pyridine vs. amide substituted ligands.
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hal-02951773 , version 1 (28-09-2020)

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Marc Baaden, Frédéric Berny, Charles Madic, Rachel Schurhammer, Georges Wipff. Theoretical Studies on Lanthanide Cation Extraction by Picolinamides: Ligand–Cation Interactions and Interfacial Behavior. Solvent Extraction and Ion Exchange, 2003, 21 (2), pp.199-220. ⟨10.1081/SEI-120018946⟩. ⟨hal-02951773⟩
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