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Vol. 30 No. 12 (2018): Vol 30 Issue 12

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Synthesis, Characterization, DFT and Antimicrobial Study of Co(II), Ni(II), Cu(II) and Zn(II) Complexes of Novel Schiff Base Ligands Derived from 3-Amino-1,2,4-triazole-5-thiol

https://doi.org/10.14233/ajchem.2018.21630
Ajay Prakash
Department of Chemistry, Guru Jambheshwar University of Science & Technology, Hissar-125 001, India
Rajesh Malhotra
Department of Chemistry, Guru Jambheshwar University of Science & Technology, Hissar-125 001, India

Corresponding Author(s) : Ajay Prakash

ajaychem2012@gmail.com

Asian Journal of Chemistry, Vol. 30 No. 12 (2018): Vol 30 Issue 12

Abstract

Two novel Schiff base ligands are prepared by condensing 2-hydroxy-4-methoxybenzaldehyde with 3-amino-1,2,4-triazole-5-thiol (HL1) and 2-hydroxy-3-methoxybenzaldehyde with 3-amino-1,2,4-triazole-5-thiol (HL2). The ligands were synthesized and characterized by 1H NMR, IR, HRMS and analytical data. The synthesized ligands were complexed with metal salts in 1:2 metal:ligand ratio yielded the complexes of type [M(L)2(H2O)x] [where M = Co(II), Ni(II), Cu(II) and Zn(II); x = 2 for Co(II), Ni(II), Cu(II) while x = 0 for Zn(II)]. The metal complexes were characterized by elemental analysis, IR, ESI-mass, UV-visible, ESR, molar conductance, magnetic moment measurement and thermogravimetric analysis. The results from IR spectra revealed that ligands exist in thione and thiol forms. The synthesized complexes show non-electrolytic behaviour as indicated by their molar conductance values. The structure of ligand HL1 and complexes 1-4 were fully optimized using Gaussian 09, taking 6-31g basis set and B3LYP functional. The experimental results based on various spectroscopic and analytical data predicted an octahedral geometry for Co(II), Ni(II) and Cu(II) complexes while for Zn(II) complexes the predicted geometry is tetrahedral. in vitro Antibacterial activity against Bacillus macerans (Gram-positive) and Pseudomonas striata (Gram-negative) and antifungal activity against Rhizoctonia bataticola, Alternaria alternata and Fusarium odum has been evaluated for all synthesized ligands and their metal complexes.

Keywords

Trasition metal(II) complexes 1,2,4-Triazoles DFT study Biological activity
Prakash, A., & Malhotra, R. (2018). Synthesis, Characterization, DFT and Antimicrobial Study of Co(II), Ni(II), Cu(II) and Zn(II) Complexes of Novel Schiff Base Ligands Derived from 3-Amino-1,2,4-triazole-5-thiol. Asian Journal of Chemistry, 30(12), 2781–2787. https://doi.org/10.14233/ajchem.2018.21630
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