Abstract
DFT based Molecular overview of the α-furil dioxime (α-FD) molecule were conducted using the B3LYP/6-31G (d) level of calculation. The electron affinity, ionization potential, dipole moment, atomic charges, Molecular electrostatic potential and the energy of highest occupied molecular orbital (HOMO) and of the lowest unoccupied molecular orbital (LUMO) of the studied compound were calculated. A sensitive procedure for the determination of Palladium by square wave adsorptive stripping voltammetry (SWCSV) on hanging mercury drop electrode (HMDE) using α-furil dioxime (α-FD) as complexing agent in 0.1 M NH4Cl/NH4OH buffer was obtained. The effect of various parameters such as pH, ligand concentration, accumulation potential, accumulation time, scan rate, pulse height and square wave frequency was studied. At the optimum condition, linearity was evaluated by increasing of palladium concentration up to 100 ng/ml, The calibration plot thus obtained was linear over the range 5-90 ng/ml with a correlation coefficient of 0.99993. The detection limit is equal to be 0.029 ng / ml. The interference by metal ions which are of great significance in real matrices has been studied. The proposed analytical procedure was applied for the determination of untreated tap water spiked with Pd (II). A good recovery is found as a result within the normal error.