Heteroligand bivalent transition metal complexes with an azo-oxime ligand and 1,10-phenanthroline: Synthesis, spectroscopy, thermal analysis, DFT calculations and SOD-mimetic activities

SERBEST K., Dural T., EMİRİK M., ZENGİN A., FAİZ Ö.

JOURNAL OF MOLECULAR STRUCTURE, cilt.1229, 2021 (SCI-Expanded) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 1229
  • Basım Tarihi: 2021
  • Doi Numarası: 10.1016/j.molstruc.2020.129579
  • Dergi Adı: JOURNAL OF MOLECULAR STRUCTURE
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Academic Search Premier, Chemical Abstracts Core, INSPEC
  • Anahtar Kelimeler: Vibrational analyses, Electronic transition, TDDFT, Azo dye, SOD, SUPEROXIDE-DISMUTASE, CRYSTAL-STRUCTURE, ANTIBACTERIAL, CU(II)
  • Recep Tayyip Erdoğan Üniversitesi Adresli: Evet

Özet

Novel mononuclear heteroligand transition metal complexes: [M(HL)(phen)(2)] ClO4, (M: Mn(II) for 1, Ni(II) for 2), [M(HL)(phen)(ClO4)], (Ni(II) for 3, Cu(II) for 4, Zn(II) for 5) with 2-[(E)-(hydroxyimino)methyl]-4-[(E)-phenyldiazenyl]phenol, H2L as primary ligand and 1,10- phenanthroline as bidentate co-ligand(s) in different mole ratios have been synthesized and characterized by using elemental analysis, FTIR, UV-Vis, NMR, MALDI-TOF mass spectrometry and thermal analysis. The complexes (1, 2) have distorted octahedral geometry while the complexes (3-5) have distorted square-pyramidal coordination geometry. In the complexes, the metal ion is coordinated to the deprotonated azo-oxime ligand through the phenolic oxygen atom and nitrogen of the imine. 1,10-Phenanthroline is coordinated to the metal ion through its two N-donors. The thermograms of all the complexes were confirmed the proposed structures. Time-dependent (TD) DFT-based calculations have been also performed for geometric optimization and to assign the experimental vibrational and electronic transition of the complexes. The superoxide-scavenging activities of the complexes were also investigated and IC50 values were evaluated. Among the complexes studied, the Cu(II) complex (4) exhibits the most activity with the lowest IC50 value (2.02 +/- 0.15). (C) 2020 Elsevier B.V. All rights reserved.