Jump to main content
Jump to site search

Issue 2, 2005
Previous Article Next Article

Lanthanide cationextraction by malonamideligands: from liquid–liquid interfaces to microemulsions. A molecular dynamics study

Author affiliations

Abstract

According to molecular dynamics simulations, uncomplexed malonamide ligands L and their neutral Eu(NO3)3L2 or charged EuL43+ complexes are surface active and adsorb at a water–“oil” interface, where “oil” is modeled by chloroform. Aqueous solvation at the interface is found to induce a trans to gauche rearrangement of the carbonyl groups, i.e. to preorganize the chelating L ligands for complexation. The interface also induces a larger proportion of extended amphiphilic forms, of EE-gauche type. The effect of increased oil/water ratio is also investigated. It shown that the system evolves from a well-defined interface between immiscible phases to water-in-oil cylindrical micelles and micro-droplets, onto which L ligands and the lanthanide complexes adsorb, while other ligands are extracted in organic phase. Two electrostatic models of the complexes are compared and, in no case is the neutral or charged complex fully extracted to the organic phase. These features allow us to better understand synergistic and solvation effects in the assisted liquid–liquid extraction of lanthanide or actinide cations.

Graphical abstract: Lanthanide cation extraction by malonamide ligands: from liquid–liquid interfaces to microemulsions. A molecular dynamics study

Back to tab navigation

Supplementary files

Article information


Submitted
05 Jul 2004
Accepted
01 Oct 2004
First published
26 Oct 2004

Phys. Chem. Chem. Phys., 2005,7, 264-272
Article type
Paper

Lanthanide cation extraction by malonamide ligands: from liquid–liquid interfaces to microemulsions. A molecular dynamics study

R. Diss and G. Wipff, Phys. Chem. Chem. Phys., 2005, 7, 264
DOI: 10.1039/B410137E

Social activity

Search articles by author

Spotlight

Advertisements