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, which are L = 2-((E)-(p-lylimino)methyl)-6-methoxyphenol (complex 1), 2-methoxy- -6-((E)-(phenylimine)methyl)phenol (complex 2) and 2-((E)-(4-chlorophenylimino) 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 quantum 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.

Keywords

• schiff base pd(ii) derivative
• spectroscopic characterization
• molecular modeling
• thermogravimetric analysis
• cross-coupling reaction