Synthesis and antioxidant, antimicrobial evaluation, DFT studies of novel metal complexes derivate from Schiff base

Abstract

In Iraq, like most developing countries, attempts are being made to synthesize new compounds with several pharmacological properties. (E)-2-(3-(2-imino-1-methylimidazolidin-4-ylidene)-1-methylguanidino)acetic acid (L) has been synthesized and used as a ligand for the formation of Cr(III), Co(II), Ni(II), and Cu(II) complexes. The chemical structures of synthesized compounds were characterized using different spectroscopic methods. All chelates except Ni(II) chelate are found to be octahedral structures, Ni(II) chelate was square planar. The stability for the prepared complexes was studied theoretically using density function theory. The total energy for the complexes was calculated and it was shown that the copper complex is the most stable one. Ligand and complexes were tested against selected types of microbial organisms and showed significant activities. The free-radical scavenging activity of ligand and metal complexes have been determined by their interaction with the stable free-radical DPPH and all the compounds have shown encouraging antioxidant activities.

Photostabilizing Efficiency of PVC in the Presence of Schiff Bases as Photostabilizers

“…However, the working principles of this approach are not yet fully understood [15]. In the continuation of previous studies [16][17][18][19][20][21][22][23], we focused on the photostabilization of PVC using 1,3,4-thiadiazole compounds. To our knowledge, there has been no attempt to investigate the photostabilization of PVC films by Schiff bases containing four 1,3,4-thiadiazole rings; therefore, in this study, we report the design of the Schiff bases and the study of their use as a photostabilizing reagents.…”

Solvent-Free Synthesis of New Coumarins

“…An earlier study [34] has shown that atomic charges were affected by the presence of the substituent of rings. For compound 3 the 3D geometrical structure is given in Figure 1 …”

Theoretical Studies on Electrophilic Aromatic Substitution Reaction for 8-Hydroxyquinoline

“…The B3LYP density functional theory calculations exhibit good performance on the molecular geometry and vibrational properties of organic compounds 8,9 . To extend our studies on the design and synthesis of new compounds [10][11][12][13][14][15][16][17][18][19][20][21][22] , we describe here, investigate the dependence of stability of the molecules on theoretical chemical parameters such as total energy, energy level of (HOMO), and energy gap. We have three stable molecules, HQ-7-YBAEE (II) for the total energy, HQ-6-YBAEE (II) for the energy level of (HOMO) and HQ-2-YBAEE (II) for the energy gap.…”