Synthesis, characterization, antimicrobial, and MOE evaluation of nano 1,2,4‐triazole‐based Schiff base ligand with some d‐block metal ions

Abstract

Three new metal complexes of 4-(benzylideneamino)-5-phenyl-4H-1,-2,4-triazole-3-thiol ligand (L) and three transition metal ions: Fe (III), Cu (II), and Zn (II) were synthesized and characterized. The ligand derived from 4-amino-5-phenyl-1,2,4-triazole-3-thiol and benzaldehyde was synthesized in a 1:1 molar ratio. All the chelates were characterized by elemental analysis, conductivity measurements, thermal analysis, FT-IR, and 1 H-NMR spectroscopy.The IR spectrum revealed that the Schiff base ligand coordinated in a neutral bidentate manner with the metal ions through the azomethine N and thiol S. The thiol group coordinated to the metal ions without proton displacement as confirmed from the 1 H NMR spectra. The conductivity data showed the electrolytic nature of the Fe (III) and Cu (II) complexes while the Zn (II) complex was nonelectrolyte. All metal complexes had octahedral structure as depicted by spectral and elemental analyses. The complexes start decomposition at 35 C, and they decomposed in four to five steps. The scanning electron microscope (SEM) analysis confirmed the presence of metal complexes in nanostructure. The 1,2,4-triazole Schiff base ligand (L) and its transition metal complexes have been screened for their antibacterial (Gram [+] bacteria): Bacillis subtilis and Staphylococcus aureus, (Gram [−] bacteria): Escherichia coli and Pseudomonas aeruginosa and two fungi: Candida albicans and Aspergillus flavus by agar diffusion method. The two metal complexes were subjected to molecular docking study against crystal structure of Aspergillus fumigatus (PDB ID: 6NE0) and crystal structure of Mycobacterium tuberculosis (PDB ID: 5UHF). The mode of binding between the A. fumigatus (PDB ID: 6NE0) and Mycobacterium tuberculosis strains and the complexes was discussed. K E Y W O R D S 1,2,4-triazole, Candida albicans, diffusion method, MOE, thermal analysis Three metal chelates of new Schiff base were prepared and characterized.

Bioactive La(III), Er(III), Yb(III), Ru(III), and Ta(V) complexes of new organometallic Schiff base: Preparation, structural characterization, antibacterial, anticancer activities, and MOE studies

“…Furthermore, a sharp band at 1049 cm −1 can be contributed to ν N–N (pyrazole) stretching vibration. [ 21,22 ]…”

“…Furthermore, a sharp band at 1049 cm À1 can be contributed to ν N-N (pyrazole) stretching vibration. [21,22] The thermogravimetric analysis was used to confirm the suggested fragmentation patterns and hence the molecular formula of L. The only one decomposition step occurred at 35-600 C, attributed to evaluation of C 22 H 21 N 3 molecule with a mass loss of 85.81% (calculated mass loss = 85.38%. The total weight loss amounted to 85.81% (calcd.…”

Antibacterial and anticorrosion behavior of bioactive complexes of selected transition metal ions with new 2‐acetylpyridine Schiff base

“…[44,45] Mn(II), Co(II), Cu(II), Zn(II), and Cd(II) complexes were nonelectrolytes, cofirming that all the chlorides in nonelectrolytic complexes were part of the coordination sphere. [46,47] From previous studies, Khalil et al (2021) was prepared metal complexes of naphthalene-1,8-diamine derivatives and measured their molar conductance, which showed that all complexes were electrolytes with value between 67-86 Ω À1 mol À1 cm 2 , whereas Zn(II) complex was nonelectrolyte with value <50 Ω À1 mol À1 cm 2 . These results confirmed our explanation about the results of conductivity.…”

Synthesis, spectroscopic characterization, density functional, thermal studies, and molecular docking simulation of rare earth element complexes

“…In addition to the increase of the electron negative capacity of La(III) oxygen and nitrogen as free H 2 L 1 and HL 2 , the Mulliken electronegative is the favored location for electrical attacks with metal ion. [22,26,28,36]…”

“…The different transitions and its experimental counterpart of the [LaHL 2 Cl(H 2 O) 3 ]ClÁ5H 2 O complex have been summarized in Table 4. [22,26,36] 3.12 | Mulliken atomic charges for the La(III) complexes…”