Synthesis, characterization and molecular modeling of some transition metal complexes of Schiff base derived from 5-aminouracil and 2-benzoyl pyridine

Two two-dimensional and three-dimensional supramolecular complexes [M (L) 2 ] (NO 3 ) 2 ·2CH 3 OH (M = Cu(1) and Co(2), L = 2-(4-imidazolyl)-4-methyl-1,2-quinazoline-N 3 -oxide), were synthesized and characterized by FT-IR and UV-Vis spectroscopy, as well as elemental analysis. The spectroscopic data of both complexes were compared with the ligand L. Both complexes were determined by X-ray single-crystal diffraction and display similar coordination geometry and have a 2:1 ligand-to-metal ratio. All the central M (II) atoms are hexa-coordinated with perfect octahedral geometries. In the crystal structures, complexes 1 and 2 form an infinite 1-D chain-like and 2-D, 3-D supramolecular frameworks. X-ray photoelectron spectrum (XPS) and thermal stability of 2 was investigated. Moreover, electrochemical properties and antimicrobial activities of both complexes were also studied.

Section: Resultssupporting

confidence: 78%

Structural characterizations, spectroscopic, electrochemical properties, and antibacterial activities of copper (II) and cobalt (II) complexes containing imidazole ring

Chai

Zhou

Zhang

et al. 2018

“…It is to be noted that the magnetic moment value for complex ( 7 ) is (4.85 BM) implying high‐spin octahedral structure around Fe(III) ion. The spectral bands of Fe(III) complex appear at 476, 542 and 681 nm corresponding to 6 A 1g (S) → 4 A 1g (G), 4 E g (G), 6 A 1g (S) → 4 T 2g (G) and 6 A 1g (S) → 4 T 1g (G) transitions indicative of high‐spin octahedral geometry …”

Section: Resultsmentioning

confidence: 99%

Structural characterization, thermal investigation and biological activity of metal complexes containing Schiff Base ligand (Z)‐3‐(1‐((4,6‐dimethyl‐1H‐pyrazolo[3,4‐b] pyridin‐3‐yl)imino)ethyl)‐4‐hydroxy‐6‐methyl‐2H‐pyran‐2‐one

Emam

Abouel‐Enein

Abdel‐Satar

2019

A new series of metal complexes containing Co(II), Pd(II), Fe(III) chloride and Cu(II) salts (chloride, bromide, sulphate and perchlorate) have been prepared with Schiff base ligand (HL). The synthesized compounds were elucidated using elemental analyses, spectral techniques, molar conductance, magnetic measurements and thermogravimetric studies. The analytical data established (1 M:1 L) stoichiometry for complexes (1), (2), (4), (6) and (7) as well as (1 M:2 L) and (2 M:3 L) stoichiometry for complexes (5) and (3), respectively. As a result, the ligand HL coordinates in complexes (1), (2), (4), (6) as a monobasic tridentate ONN moiety via the oxygen atom of the deprotonated phenolic OH, the nitrogen atoms of the azomethine and the imine group in pyrazolopyridine ring. While, it behaves as a neutral bidentate in complexes (3,7), chelates via oxygen and nitrogen atoms of enolic OH and azomethine groups. Also, in complex (5) Cu2+ ion binds via NO sits of two ligand molecules in its monobasic and neutral forms. The magnetic moment and electronic spectral data proposed octahedral structure for complexes (2, 3 and 7) as well as triagonal bipyramidal and square pyramidal geometry for complexes (1 and 4), while, chelates (5) and (6) possess square planar geometry. TG/DTG studies confirmed the chemical formula for these complexes and established the thermal decomposition processes ended with the formation of metal or metal oxides contaminated with carbon residue. An axial electron spin resonance spectra were suggested for Cu(II) complexes pointing to 2B1g as a ground state with hyperfine structure for complex (4). In vitro antibacterial and antioxidant activities were performed for HL ligand and its metal complexes. The biological studies indicate that complex (3) has better antibacterial activity compared to the ligand and the other complexes.

“…From IR spectrum, a sharp band observed at 1657 cm −1 due to the C=N stretching of the ligand which appeared theoretically at 1669 cm −1 (Figure ). Also, the spectrum had no bands at about 3400 cm −1 and 1500 cm −1 due to NH 2 and C=O, respectively, which confirm occurrence of the condensation reaction.…”

Section: Resultsmentioning

confidence: 80%

Theoretical studies of new Schiff base ligand derived from 1,3‐diaminopropane and 2‐acetyl ferrocene and studying some applications of its metal complexes

Sayed

Mahmoud

Omar

2019

A novel bidentate Schiff base ligand (L) and some d‐transition metal chelates (Cr (III), Mn (II), Fe (III), Co (II), Ni (II), Cu (II), Zn (II) and Cd (II)) were synthesized and characterized using various physicochemical and spectroscopic techniques like elemental analysis, IR, mass, UV–visible and thermal analysis. The spectroscopic data suggested that the parent Schiff base ligand coordinated to the metal ions through both imine nitrogen atoms. The molecular and electronic structure of the free ligand was optimized theoretically, and the quantum chemical parameters were calculated. The molecular structure can be used to investigate the coordination sites and the total charge density around each atom. The free ligand and its complexes were screened for their antimicrobial activities for various pathogenic bacteria and fungi. The anticancer activities of the free ligand, Cr (III), Mn (II) and Fe (III) complexes were screened against MCF‐7 cell line and found that Mn (II) complex has the lowest IC50 (15.90 μg/ml). Molecular docking was used to predict the binding between the free ligand with receptor of mutant human androgen (ARccr) derived from androgen‐independent prostate cancer (1GS4), crystal structure of yeast‐specific serine/threonine protein phosphatase (ppz1) of Candida Albicans (5JPE) and crystal structure of renal tumor suppressor protein, folliculin (3 V42) and to identify the binding mode and the crucial functional groups interacting with the three proteins.