Catalytic investigation of Pd(II) complexes over Heck-Mizoroki reaction: Tailored synthesis, characterization and density functional theory

Abstract

Tailored reaction of Schiff base ligands with palladium(II) chloride and imidazole afford three complexes of formula [Pd(II)(L)(imdz)2]Cl; where L = 2-((E)-(p-lylimino)methyl)-6-methoxyphenol (complex 1); 2-methoxy-6- -((E)-(phenylimine)methyl)phenol (complex 2); and 2-((E)-(4-chlorophenyl-imino)methyl)-6-methoxyphenol (complex 3). Compounds were characterized with elemental analysis, molar conductance, electronic spectroscopy, ESI-MS, FT-IR, TGA, 1H-NMR and 13C-NMR. Molecular structure and different quan-tum chemical parameters were calculated using the B3LYP basis set of density functional theory with the standard 6-311+G (d, 2p) level. The catalytic potential of 1-3 was examined over Heck-Mizoroki reaction and found in order of 1 > 2 > 3.

Isoniazid-Crysin Incorporated Mixed Ligand Schiff Base Metal(II) Complexes: Synthesis, Spectral Investigation, DNA Binding and Antibacterial Studies

“…Furthermore, log P values less than 5, good total polar surface and good solubility values contribute to a good bioavailability score greater than 0.5 attributed to their polar nature, only the ligand has access to the gastrointestinal tract, whereas metal(II) complexes have minimal gastrointestinal absorption, which may be attributed to the loss of hydroxyl proton during chelation with the metal ions. The synthetic accessibility values of the metal(II) complexes lie in the mid-range of ranking between 0-10 and the value of ligand is 2.26, which denotes that the ligand can be prepared without difficulty [40,41].…”