The stability constants for the ligand 1-hydroxyl-3-aminopropilydene diphosphonic acid (APD) or Pamidronate with metal ions CdII, PbII and ZnII were established in this work by sampled direct current polarography (DCTAST). Due to precipitation of the metal-ligand complexes in the pH range about 4.0 to 5.0 at typical glass electrode potentiometric conditions, these systems could not be studied by glass electrode potentiometry (GEP). The concept of Virtual Potentiometry (VP) was used in the modelling of the metal-ligand system and refinement of stability constants to evaluate further the metal-ligand models derived from DCTAST. Virtual potentiometry uses virtual potentials to refine polarographic data by employing dedicated potentiometric software, ESTA. The structure of the metal complexes determined in this work is also proposed and compared to the reported crystal structures of the metal complexes of the ligand APD. The Linear Free Energy Relationship, LFER (log KML′ vs. log KM(OH) ) for the ligand APD is derived here for the first time using the log KML′ values from literature as well as the values for CdII, PbII and ZnII determined in this work. The log KML′ values of 153SmIII–APD and 166HoIII–APD, which cannot be determined by these two techniques (GEP and DCTAST), were predicted in this work using the LFER methodology.
Dissertation (MSc (Chemistry))--University of Pretoria, 2007.