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

Abstract

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.

Synthesis and Characterization of Ni2+, Cu2+ and Zn2+ Complexes with Benzimidazole-2-thionate, Diphosphene and Their Reaction with Iodine

“…The magnetic moments of mono and dinuclear Cu(II) complexes 2, 9-13 has been found to be (2.20 and 1.63-2.08 B.M) which indicate the presence of one unpaired electron. The Cu(II) complexes 2 and 9 showed a band at 10162 cm -1 and 10204 cm -1 which are assigned to 2 T2→ 2 E transition in tetrahedral environmental 25 , while the Cu(II) complexes (10)(11)(12)(13) showed bands at 15974-16286 cm -1 which were assigned to 2 B1g→ 2 A2g and 2 B2g→ 2 Eg transition in distorted square planer geometry 26 .…”

“…In view of these interesting results and in continuation of our comprehensive studies on transition and non transition metals complexes with sulfur containing 12,13 and other various donor ligands 14,15 , we reported here the preparation of some Ni(II), Cu(II) and Zn(II) complexes with hybrid ligands of benzimidazole-2-thionate and diphosphine.…”

“…For a 1:1 molar ratio the complex formed was (COD)Pt(SPh)(Cl)2Sn(Ph)3•3CH2Cl2 through an oxidative addition reaction. The complexes were characterized by IR, 1 H, 13 C NMR, 195 Pt-NMR, 119 Sn-NMR and Mössabauer spectroscopes 5 .…”

Synthesis and characterization of new complexes of Co+2 , Ni+2 , Cu+2 and Zn+2 with (Sodium acetate thio ) ethylene ligands

“…Using a similar reaction system but , additionally , adding the strong reducing agent NH 2 NH 2 .2HCl , we have now succeeded in isolating a novel tetranuclear mixed valance complex (NH 4 )Na 3 [Mo 4 O 2 (SCH 2 COO) 6 (SCH 2 C OO) 2 ]. 10H 2 O, representing the first example of new class of tetra nuclear Mo-S complexes with a linear metalmetal chain .In new of these interesting results and as continuation of our studies on transition metal complexes with sulfur and oxygen ligands [7,8,9] , we are presenting here the preparation of new ligands and their Co(II), Ni(II), Cu(II) and Zn(II) complexes.…”

Synthesis and DFT Study of the Complexation of Schiff Base Derived Curcumin and L-Tyrosine with Al(III), Ag(I), and Pb(II) Metal Ions

“…Gaussian 09 software [9] is used to perform the DFT calculations. All structures of the synthesized compounds were optimized at the B3LYP/LANL2DZ level of theory [10]. Several researchers used the LANL2DZ as a basis set in DFT calculations of systems that included Ag and Pb atoms [11][12].…”