TY - JOUR AU - Shukla, Satyendra Nath AU - Gaur, Pratiksha AU - Bagri, Sanjay Singh AU - Mehrotra, Ripul AU - Chaurasia, Bhaskar PY - 2021/03/22 Y2 - 2024/03/29 TI - Catalytic investigation of Pd(II) complexes over Heck-Mizoroki reaction: Tailored synthesis, characterization and density functional theory JF - Journal of the Serbian Chemical Society JA - J. Serb. Chem. Soc. VL - 86 IS - 3 SE - Inorganic Chemistry DO - 10.2298/JSC200902075S UR - https://www.shd-pub.org.rs/index.php/JSCS/article/view/9859 SP - 269-282 AB - <p class="Abstract">Tailored reaction of Schiff base ligands with palladium(II) chloride and imidazole afford three complexes of formula [Pd<sup>(II)</sup>(L)(imdz)<sub>2</sub>]Cl; where<strong><em> </em></strong>L = 2-((<em>E</em>)-(<em>p</em>-lylimino)methyl)-6-methoxyphenol (complex <strong>1</strong>);<strong> </strong>2-methoxy-6-((E)-(phenylimine)methyl)phenol (complex <strong>2</strong>); and 2-((<em>E</em>)-(4-chloro­phenyl­imino)methyl)-6-methoxyphenol (complex <strong>3</strong>). Compounds were characterized with elemental analysis, molar conductance, electronic spectroscopy, ESI-MS, FT-IR, TGA, <sup>1</sup>H-NMR and <sup>13</sup>C-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 <strong>1-3</strong> was examined over Heck-Mizoroki reaction and found in order of <strong>1 </strong>&gt; <strong>2 </strong>&gt; <strong>3</strong>.</p> ER -