Theoretical insights on the relationship between detection limit and complex stability of oxine ligand

The concept of detection limit was combined with quantum chemical calculations for trace analysis cadmium and lead in aqueous solution using deprotonated 8-hydroxyquinoline (oxine) as ligand. DFT study performed 6-31G(d), cc-pVTZ SDD basis sets combination different theoretical methods such as; B3LYP, MP2 M06L implemented Gaussian 09 program package. obtained results the gas phases show that stability complex found order Pb-oxine > Cd-oxine. Based on done, relative to (LOD) two metals Cd Pb. Thus, a reverse relationship between LOD binding energy has been found.