Synthesis, characterization, and multifunctional applications of novel metal complexes based on thiazolylazo dye

Abstract

Herein, a novel ligand, namely, N,N-dimethyl-4-((4-(pyridin-2-yl)thiazol-2-yl) diazenyl)aniline, and its solid Mn (II), Co (II), Ni (II), and Cu (II) complexes have been synthesized and characterized. The photophysical properties of the thiazolyl azo ligand, L, have been investigated in various solvents of different polarities. The absorption and fluorescence maxima of the ligand show a strong dependence on the solvent polarity. The metal ions sensing response to Mn (II), Co (II), Ni (II), and Cu (II) ions were also investigated in ethanolic solutions. The novel solid complexes of hexacoordinate Mn (II), Co (II), Ni (II), and Cu (II) of the ligand have the molar ratio 2:1 (M:L) and general chemical formula [M 2 (L)(H 2 O) 4 Cl 4 ]ÁnH 2 O. The presence of metal-metal interaction was proved by the low magnetic moment values μ eff of metal complexes. The UV-Vis spectra of the ligand and its metal complexes displayed bands characteristic to different types of transitions inside the molecules. The metal complexes show additional absorption bands of very low intensity around 650-690 nm attributed to d-d transitions within the metal ion indicating octahedralgeometry. The geometry of the ligand and its complexes was also theoretically confirmed using the DMOL3 program and density functional theory (DFT). The free ligand and its metal complexes have been studied for their DNA-binding properties using steady-state absorption and emission techniques. They demonstrated successful binding properties against CT-DNA in an intercalative mode.Additionally, the ligand and its metal complexes have also been successfully applied to polyester fabrics as disperse dyes. Multifunctional properties such as color representation, colorimetric data (L*, a*, b*, C*, h*, K/S), and fastness properties of the dyed samples have been discussed and evaluated in detail. These dyes have proven their efficiency in dyeing polyester fabrics, as they give satisfactory results in fastness properties, colorimetric data. Moreover, the antioxidant and antitumor activities for the synthesized compounds were evaluated.

Tunable Anticorrosive Effects of Newly Synthesized Benzothiazole Azo Dyes by Potassium Iodide Synergism for Carbon Steel in 1 M HCl: Combined Experimental and Theoretical Studies

“…According to Koopman’s theorem, the dyes’ E HOMO and E LUMO are connected to the ionization potential ( I ) and electron affinity ( A ), respectively . Other quantum chemical parameters that provide useful information about the reactivity of the dyes are calculated as follows , χ 0.25em ( electronegativity ) = − ( E LUMO + E HOMO ) 2 μ 0.25em ( potential ) = prefix− χ = false( E normalL normalU normalM normalO + E normalH normalO normalM normalO false) 2 η 0.25em ( hardness ) = false( E LUMO − E HOM normalO false) 2 ω 0.25em ( electrophilicity ) = μ 2 / 2 η Softness is defined as the inverse of global hardness, expressed as follows ∑ ( softness ) = 1 / η The fraction of electrons (Δ N ) transferred between the inhibitors and the metallic surface is expressed as follows norm...…”

“…According to Koopman's theorem, the dyes' E HOMO and E LUMO are connected to the ionization potential (I) and electron affinity (A), respectively. 63 Other quantum chemical parameters that provide useful information about the reactivity of the dyes are calculated as follows 64 Softness is defined as the inverse of global hardness, expressed as follows…”

Synthesis of a new Cd (II) complex as ionophores and its application in construction of a highly selective and sensitive cadmium (II) sensor in petroleum water samples

“…The energy minimized using default parameters for field force, default triangular matcher, and rigid receptor were employed. Out of a total of 10 postures, London dG and GBVI/WSA dG were used as the scoring functions to determine the top 5 poses 33,34 …”

New mixed‐ligand thioether‐quinoline complexes of nickel(II), cobalt(II), and copper(II): Synthesis, structural elucidation, density functional theory, antimicrobial activity, and molecular docking exploration

“…These compounds are also widely utilized in medicine, where they have shown effective as anticancer agents, antibacterial agents, antiseptics, and antineoplastics. 29 A literature survey indicated that complexes of Co(II), Ni(II), and Cu(II) with single azo or 8-hydroxyquinoline (HQ) ligand were reported to show anticancer, 30,31 antitumor, 32,33 antioxidant, 34,35 and antimicrobial activity. 36,37 Also, previous studies indicated that Co(II), Ni(II), and Cu(II) complexes based on azo-8-hydroxyquinoline derivatives exhibited good to moderate affinity to dyeing polyester fabrics 38 and promising antimicrobial activities.…”