Synthesis, experimental and theoretical characterization of Cu(II) complex of 2-chloropyrimidine

The new dimeric [Cu 2(OAc) 4(2-Clpym)2] complex of 2-chloropyrimidine (2-Clpym) ligand was synthesized, where 2-Clpym coordinated via the nitrogen atom and acts as monodentate ligand. The water molecules of dimeric Cu 2(OAc) 4(H 2O) 2 salt replaced by two 2-Clpym ligands producing the new complex. The nature of synthesized complex was determinated by elemental and spectrochemical (IR, UV-Vis) analysis. Also, the geometries of ligand and complex have been fully optimized using density functional theory (B3LYP) method. The obtained structural parameters are in good agreement with the experimental data, reported for the similar compounds. Also, the calculated and experimental wavenumbers confirm validity of the optimized structures for the ligand and Cu complex.