Beschreibung:
New receptor Phenylene‐Bis‐Methylfuran‐yl‐2‐Methyele Acetohydrazide (PBMMA) has been synthesized by condensation of hydrazide and 5‐methyl furfural. Synthesized receptor has been fully characterized by IR, 1H NMR, 13C NMR, mass spectroscopic and thermo gravimetric analysis. The receptor PBMMA shows selective recognition potential towards Gd3+ ion when tested with several metal ions such as Na+, K+, Mg2+, Cu2+, Cd2+, Hg2+, Y3+, La3+, Eu3+, Sm3+, Gd3+, Re6+ and Th4+ ion as their sulfates by UV–visible and fluorescence spectroscopic studies. Binding nature of PBMMA with Gd3+ ion was further studied by mass spectroscopic and cyclic voltammetric studies. The stoichiometry of PBMMA‐Gd3+ ion has been established, 1:1 by Benesi‐Hildebrand plot method and method of continuous variation (Job's plot) with association affinity K = 6.491 × 104 M−1. In addition to these, molecular docking, molecular dynamic stimulation and binding energy of complex; through Density Function theory −595.66 kcal/mol has also indication of strong binding. The electron transfer energy of Higher occupied molecular orbital (HOMO) to Lower unoccupied molecular orbital (LUMO) is about 4.186 eV and 295 nm for PBMMA‐Gd3+ Complex.