Synthesis, spectral, structural, photoluminescence, thermal and DFT studies of phenylmercury(II) and Ni(II) complexes of 3-methoxycarbonyl-piperidine-1-carbodithioate

摘要: Abstract Two new complexes [PhHg(mpc)] (1) and [Ni(mpc)2] (2) {mpc = 3-methoxycarbonyl-piperidine-1-carbodithioate} have been synthesized characterized by elemental analyses, IR, NMR, UV–Vis single crystal X-ray diffraction data. Both the crystallize in triclinic system with space group P 1 ¯ . The geometry around Hg(II) ion bonded phenyl carbon dithiosulfur atom of mpc is almost linear. Complex 2 square planar having two unit ligand. Potassium salt complex emit violet light upon excitation at about 293 nm, while blue 323 nm wavelength. Cyclic voltammetry studies free ligand (Kmpc) its shows irreversible redox behaviour. Thermal behaviour studied which indicate that evaporates completely over 700 °C temperature where as converts into nickel sulfide final residue. Frontier molecular orbital analysis reveals softer more reactive than 1. In solid state, structures are stabilized intermolecular interactions.