RP-TLC Quantitative Retention-Property Relationships Studies of Some Schiff Base Ligands and Their Complexes

Abstract

Mathematical models which define the effects of molecular properties on the retention and lipophilicity and prediction lipophilicity of some Schiff base ligands, and complexes with copper(II) and nickel(II) were developed. Following molecular descriptors were calculated: molecular volume, surface area, energy of the highest occupied/lowest unoccupied molecular orbital, dipole moment, refractivity, polarizability, hydrophilic-lipophilic balance, and lipophilicity parameters, which are correlated with chromatographically determinated lipophilicity parameters. A multiple linear regression procedure was used to derive the models. High agreement between experimental and predicted values obtained in this validation procedure indicates the good quality of the derived models.