New palladium (II) complexes from halogen substituted Schiff base ligands: Synthesis, spectroscopic, biological activity, density functional theory, and molecular docking investigations

Synthesis, characterization, biological evaluation, DFT and molecular docking studies of (Z)-2-((2-bromo-4-chlorophenyl)imino)methyl)-4-chlorophenol and its Co(ii), Ni(ii), Cu(ii), and Zn(ii) complexes

“…The strength of the interaction is measured by the index ρ , which assigns a trough to the strongest interaction where the highest trough and all forces are denoted by the eigen value λ 2 . 74 A larger quantity of well-defined troughs is observed in the complexes than in the free ligand. In all compounds though, it appears as if repulsive forces dominate.…”

“…The ligand was synthesized using the previously described procedures. 21 In summary, a 20 mL methanol solution of 5-chlorosalicyldehyde (1.00 g, 6.39 mmol, 1 eq.) was reacted with a 20 mL methanolic solution of 2-bromo-4-chloroaniline (1.32 g, 6.39 mmol, 1 eq.…”

“…75 In addition to this, the folded sheets represent intra-ligand and metal-ligand interactions which is stabilized through a multicentric building up of electron density around the chelate ring where the red color represents steric stain and is counter balanced by a green part that denotes steric crowding. 74,76 This indicates that the degree of homogenous electron distribution in compounds causes the difference in biological properties observed between the ligand and the complexes. 77 A multicentric building up of electron density predominates in the Zn complex.…”

Antioxidant Activity and DFT Calculations of Metal Complexes Derived from a Schiff Base Ligand: Synthesis, Characterization, and Biological Evaluation

“…The Schiff base ligand, (Z)-2-(((4-chlorophenyl)imino)methyl)naphthalen-1-o1, was synthesized using a simple condensation reaction by adopting our previously reported method. [24][25][26] A solution of 2-hydroxy-1-naphthaldehyde (1.0 g, 5.8 mmol, 1 eq) in 20 mL of methanol was added to a stirring solution of 4-chloroaniline (0.74 g, 5.8 mmol, 1 eq) in 20 mL of methanol at room temperature. After which, the resulting mixture turned yellow, and three drops of formic acid were added while the stirring continued.…”

Adsorption and Corrosion Mitigation Effect of Two New Salen-type Schiff Bases on Mild Steel in Acidic Medium: Experimental and Computational Studies

“…Mass spectra were obtained using high resolution mass spectrometry on a WatersAcquity UPLC Synapt G2HD machine. General procedure for the synthesis of the compounds Schiff bases are usually synthesized by the classical condensation of a primary amine and an aldehyde or ketone (Waziri et al, 2023). In this study, we used substituted aldehydes (salicylaldehyde) and primary amine (ethylenediamine), and adopted modified literature procedures (Ibrahim et al, 2023;Waziri et al,2023) In general, in a separate reaction flask, a solution of ethylenediamine (0.1 g, 3.3 mmol, 1 eq) in 10 mL of methanol was reacted with solutions of substituted salicylaldehyde, specifically: 3,5-dichloro salicylaldehyde (1.3 g, 6.6 mmol, 2 eq) and 3,5dibromo salicylaldehyde (1.9 g, 6.6 mmol, 2 eq) each in 20 mL of methanol.…”