Synthesis, Characterization, and Catalytic Potential of Cu(I) Schiff Base Complexes: A Comprehensive Study on Structural, Electrochemical, and Mechanistic Insights

This study focuses on the synthesis and characterization of a symmetrical bidentate Schiff base ligand, <i>N,N</i>'-bis(4-bromobenzylidene)-2,2-dimethylpropane-1,3-diamine, and its Cu(I) complexes with halide ligands (Cl, Br, and I). The ligand and complexes were characterized using FT-IR, NMR spectroscopy, and elemental analysis. X-ray crystallography revealed distorted trigonal planar geometries around the Cu(I) center, supported by weak intermolecular interactions like C-H···X (X = Cl, Br) and C-H···π stacking. Electrochemical analysis at a scan rate of 25 mV/s indicated that the Cu(II)/Cu(I) redox process is electrochemically irreversible. Catalytic efficiency was evaluated in the synthesis of dihydro-1<i>H</i>-imidazoles and tetrahydropyrimidines. Mechanistic DFT (density functional theory) studies proposed a favorable 4-coordinate pathway. The present study underscores the structural versatility and catalytic efficiency of Cu(I) Schiff-base complexes, establishing a framework for their potential utilization in pharmaceutical synthesis and coordination chemistry.