Formation of Complexes in RTIL and Ion Separations

Nickel(II) Complexation with Nitrate in Dry [C4mim][Tf2N] Ionic Liquid: A Spectroscopic, Microcalorimetric, and Molecular Dynamics Study

“…The thermodynamics of metal complex formation has been widely explored in nonaqueous solutions, − while in RTILs very few examples of stability constants determinations are present in the literature for transition metals and f -block elements. − It is also noticeable that no complexation enthalpy (with the exception of Nd 3+ and Eu 3+ ions with nitrate and a calixarene ligand, respectively) , has been previously determined in RTILs, despite the key-role of this parameter for the understanding of the strength of the metal–ligand interaction and the role of the processes occurring in solution upon complexation. From a structural point of view, X-ray absorption spectroscopy (EXAFS), molecular dynamics (MD) simulations, and density functional theory (DFT) calculations have been applied previously to study lanthanides, ,− actinides, ,− alkaline earths, , and transition metals − in RTILs.…”