Spectroscopic, DFT and biological studies on some complexes of Girard's T dithiocarbazate and its application in removal of some heavy metal ions by flotation technique

A new metal complexes of potassium 2-(trimethylglycyl) hydrazine -1-carbodithioate chloride [KHdGT] with Cu(II), Ni(II), Co(II), Mn(II), Zn(II), Cd(II) and U(VI)O2 were prepared and characterized using spectroscopic IR, UV-Vis., ESR, 1H NMR and TG analysis. The IR records proved that the ligand behaved as mononegative tridentate SSO with Co(II), binegative tetradentate SNNO with Cu(II), Zn(II), Cd(II) and U(VI)O2, mononegative SNNO in Ni(II) and Mn(II) complexes. Computational DFT were performed for [KHdGT] by (B3LYP) function together utilizing “6-311 ++G(d,p)” basis set while semi-empirical method was utilized for its Co(II), Cu(II) and Zn(II) chelates to infer the entire geometry stabilization and ordinary-style examination for separated chelates. The electronic parameters, for example frontier molecular orbitals, dipole moments and infrared intensities were ascertained. In addition, the prepared chelate used for the separation of Cu(II), Cd(II), Ni(II) and Pb(II) ions from aqueous solution by the inexpensive, simple and rapid flotation technique. The cytotoxic, antioxidant and SOD-like activities were studied for KHdGT and its complexes.