Antimony(III) complexes with N-phenylthiourea derivative ligands: Design, Synthesis, Characterization and Computational studies

Abstract

The reactions of antimony(III)chloride with Nphenylthiourea derivative ligands gives antimony(III) complexes of type, [SbCl2L]. The reaction was performed in 1:1 molar ratio. The newly synthesized complexes were characterized by melting point, elemental analysis, FT-IR, UV–Vis, 1H and 13C NMR spectroscopy and Mass spectrometry. The computational calculations using density functional theory (DFT) of ligands and complexes were also performed to obtained optimized molecular geometry, the highest occupied molecular orbital (HOMO), the lowest unoccupied molecular orbital (LUMO) and other parameter. The spectroscopic data and computational studies suggest five coordination around antimony atom.