Background: Schiff base compounds derivative from1,2,4-triazole, and their transition metal complexes play an essential role in coordination and bioinorganic chemistry due to biological and industrial applications.
Objective: The work aims to prepare and characterize of 1, 2, 4-triazole Schiff base and its complexes with a theoretical study using PM3 calculation and HyperChem program, photophysical properties, and surface morphology for these complexes.
Methods: 1, 2, 4-triazole Schiff base prepared by condensation reaction between 4-Amino-3-mercapto-5-phenyl-4H-1,2,4-triazole and 2-hydroxy-1-naphthaldehyde, then Schiff base reacted with Co2+, Ni2+, and Cu2+ ions, the synthesized 1, 2, 4-triazole Schiff base, and its complexes were characterized by infrared spectra, magnetic susceptibility, conductivity measurements, photophysical properties, and surface morphology measured by atomic force microscopy. The practical results were reinforced with a theoretical study for these Schiff base complexes. Then the proposed structures of the prepared complexes.
Results: 1, 2, 4-triazole Schiff base act as a chelate ligand. The coordination has occurred through the oxygen of the phenolic group O-H and the nitrogen of the imine group N=C of Schiff base with divalent metal ions. Cobalt complex has a tetrahedral geometry, while the nickel and copper complexes have square planar geometries.
The stability of all compounds was studied by calculating the energy gap by diffuse reflectance spectroscopy and theoretical calculations. Copper Schiff base is a more stable complex due to the lower value of the energy gap, and the copper Schiff base complex is more semiconductivity than the other complexes. Surface morphology, properties of chelating Schiff base ligand and its complexes measured by atomic force microscopy, cobalt Schiff base complex is higher roughness. The bond length of (-C=N-), (-C-O-),(M-O), and (M-N) are affected in the coordination with metal ions, the bond length of the square planar geometry more affected than tetrahedral geometry.
Conclusion: All compounds were prepared successfully, characterized, and photophysical properties were studied.
Schiff Base Protonation Changes in Siberian Hamster Ultraviolet Cone Pigment Photointermediates
