High liquid–liquid extraction selectivity of Fe(II) and Pb(II) with TD-DFT theoretical calculations of long chain acid pyrazole- and triazole-based ligands

Abstract

A sensitive and selective liquid–liquid extraction is carried out using four new ligands L1–L4 as chelating agents for extraction of heavy metals from aqueous solution. Their capacities extraction of Fe2+, Cu2+, Cd2+, Pb2+, Co2+, Zn2+, and Ni2+ were determined by atomic absorption measurement. The high extractive affinity for Fe(II) is 97.28% (L2) and for Pb(II) is about 91.62% (L3). The effects of pH and ligand concentration upon extraction capability were investigated. The results revealed that the extraction of Fe(II) dependents on the pH with maximum in the pH range of 6–7. A back-extraction of Fe(II) and Pb(II) extracted with L3 leads us to recover for Fe(II) 92.12% (using H2SO4) and for Pb(II) 85.66% (using HNO3). The TD-DFT theoretical calculation has been reported.