Structural analysis of complexes formed by ethyl 4-phenylthiocarbamoyl piperazine-1-carboxylate with Ni(II), Zn(II) and Cd(II) through spectroscopic and DFT techniques

A piperazine derivative, ethyl 4-phenylthiocarbamoyl piperazine-1-carboxylate and its Ni(II), Zn(II) and Cd(II) complexes have been synthesized and characterized by elemental analyses, magnetic susceptibility measurement, UV–Visible, FTIR, Raman spectroscopic and DFT methods. The Ni(II) and Zn(II) bind through the N and S sites of the two ligand Heptpc and N site of two pyridine molecules. However, the Cd(II) binds through the only N sites of the two ligand Heptpc and N site of two pyridine molecules. On the basis of various techniques used for the characterizations of the complexes, we found that the most possible geometry of the Ni(II) and Zn(II) complexes are distorted octahedral and of the Cd(II) complex is distorted tetrahedral.