The solution structures and relative stability constants of lanthanide–EDTA complexes predicted from computation
Ravi D. O’Brien, Thomas J. Summers, Danil Kaliakin, David C. Cantu
Abstract
ion (La) with varying ligands (EDTA at pH ∼7 and ∼11). Changing the protonation state of an EDTA amine site significantly changes the solution structure of the Ln-EDTA complex resulting in a reduction of the complex stability. Increased Ln-ligand complex stability is correlated to reduced structural variations in solution upon an increase in temperature.
Topics & Concepts
ChemistryProtonationLanthanideEthylenediaminetetraacetic acidLigand (biochemistry)SelectivityIonAmine gas treatingStability constants of complexesInorganic chemistryPhysical chemistryCrystallographyComputational chemistryChelationAqueous solutionOrganic chemistryReceptorCatalysisBiochemistryRadioactive element chemistry and processingLanthanide and Transition Metal ComplexesAnalytical chemistry methods development