Title of article :
Synthesis, Spectral Characterization, and Theoretical Investigation of Pd(II) Complex Incorporating Unsymmetrical Tetradentate Schiff Base Ligand and its Application in Suzuki- Miyaura Cross-Coupling Reaction
Author/Authors :
Kargar ، Hadi Department of Chemical Engineering - Faculty of Engineering - Ardakan University , Fallah-Mehrjardi ، Mehdi Department of Chemistry - Payame Noor University (PNU) , Behjatmanesh-Ardakani ، Reza Department of Chemistry - Payame Noor University (PNU) , Munawar ، Khurram Shahzad Department of Chemistry - University of Sargodha , Bahadori ، Mehrnaz Catalysis Division, Department of Chemistry - University of Isfahan , Moghadam ، Majid Catalysis Division, Department of Chemistry - University of Isfahan
Abstract :
A new palladium(II) complex is synthesized via the treatment of unsymmetrical tetradentate Schiff base (H2LUns) with Pd(CH3COO)2. An analytical technique like combustion analysis for the estimation of C, H, and N and other spectroscopic techniques such as FT-IR and 1H NMR were used to elucidate the structural confirmation of the synthesized complex. Furthermore, the theoretical parameters of the optimized structures calculated by the DFT employing the B3LYP/Def2-TZVP level of theory were carried out to correlate the calculated findings with the actual data obtained experimentally. The spectroscopic and theoretical data findings revealed that the ligand is coordinated via phenolic oxygen and imine nitrogen atoms. Moreover, the catalytic activity of the palladium(II) complex was studied in the Suzuki-Miyaura cross-coupling reactions (SMCR).
Keywords :
Schiff base , Palladium(II) , Theoretical investigation , Suzuki , Miyaura reaction
Journal title :
Inorganic Chemistry Research
Journal title :
Inorganic Chemistry Research
