Ultrasound-Assisted Synthesis and DFT Calculations of the Novel 1D Pb (II) Coordination Polymer with Thiosemicarbazone Derivative Ligand and Its Use for Preparation of PbO Clusters

In the present work, using a sonochemical method, new lead (II) coordination 1D polymer, [Pb(L)2(CH3COO)]n (L = pyridine-4-carbaldehyde thiosemicarbazone) (1) was prepared. It characterized structurally with different spectroscopic methods, such as SEM, IR spectroscopy, XRD, and elemental analysis. The compound becomes stair-step one-dimensional polymer in solid mode. ions have number of six (PbNS3O2) two oxygen atoms from acetate anion three sulfur one nitrogen atom organic ligand. contains stereo-chemically active lone electron pair hemidirected sphere. high-intensity ultrasound is considered flexible, environmentally friendly, easy synthetic tool for compounds. PbO clusters achieved thermolyzing 1 at 180 ˚C oleic acid (as surfactant). Furthermore, size morphology created were assessed via SEM. estimated gap HOMO LUMO 3.275 eV based on DFT calculations.