Mono-and dinuclear complexes of the type M(cys), M(PTD) 2 and M 2 (PTD) 4 , where M = Pd(II) or Pt(II), cys = (SCH 2 CH(NH 2 )COOH) 2 and PTD = pyrrolidine thiocarbanoyl disulfide, have been prepared through oxidative addition reaction. They are characterized by microanalyses of metal content, molar conductance, magnetic measurements, infrared and UV-visible spectral studies. The experimental infrared data are supported by density functional theory (DFT) calculations using the B3LYP level of theory and LANL2DZ basis set. The vibrational frequencies of the molecules were computed using the optimized geometry obtained from the DFT calculations. The diamagnetic nature, the electronic spectral studies and calculated geometries suggest a distorted square planner environment around Pd(II) and Pt(II) complexes.
The 20-, 34-and 36-membered macrocyclic of bis (dithiodimine) Schiff base ligands, Bis-N,N'(dithiocarbonyl) terephthliden (L1), N'[1,-propane] terephthylidene (L2) and -butane] terephthylidene (L3), have been prepared by a (2+2) condensation of terephthaldehyde with dithiooxamide or 1,3-bis-(o-aminophnylthio) propane,or1,4-bis-(o-aminophenylethio)-butane. Air stable dinuclear complexes of Co 2+ , Ni 2+ and Cu 2+ were obtained from reaction of metal salts with L1, L2 and L3 in tetrahydrofuran. Ligands consist of two S2N2 donor sites coordinated with the metal ions. Also, adducts of the cobalt complex with 1,4-phenelyene diamine was also presented. CHN elemental analysis, metal content, molar conductivity,magnetic measurements, proton nuclear magnetic resonance, UV-visible and infrared spectral studies have characterized the complexes and adducts. In addition to this, the DFT i.e. Density Functional Theoretical calculations has been used for supporting experimental data. This process used B3LYP functional method. It is the method which has been introduced due to Yang, Parr and Lee. This method is comprised of 3-parameter functional because of the presence of Axel Becke. It further incorporates the basis set of Los Alamos National Laboratory 2 double-zeta (LANL2DZ). Furthermore, the calculation associated with the molecule's vibrational frequencies was calculated with the help of optimized geometry. Tetrahedral and square planar geometry around Co 2+ ,Ni 2+ and Cu 2+ have been deduced on the basis of magnetic and spectra studies..
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