Reactions of Pd2+ and Pt2+ with pyrrolidinedithio carbamate and cystine ligands: synthesis and DFT calculations.

Mono- and dinuclear complexes of the type M(cys), M(PTD)2 and M2(PTD)4, where M=Pd (II) or Pt(II), cys=(SCH 2CH (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. [image omitted] [ABSTRACT FROM AUTHOR]