Synthesis and X-ray evaluation of 7 N-1S thiabendazole based 1,2,3-triazole as a dual metal sensing probe: Molecular logic gate construction, DFT analysis, real water sample analysis and catalytic activity investigation of its metal complexes

Singh G., Diskit T., Singh A., Dege N., Öztürk S., Rana S., ...Daha Fazla

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, cilt.330, 2025 (SCI-Expanded) identifier identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 330
  • Basım Tarihi: 2025
  • Doi Numarası: 10.1016/j.saa.2025.125737
  • Dergi Adı: Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Academic Search Premier, BIOSIS, CAB Abstracts, Chemical Abstracts Core, Chimica, Compendex, INSPEC, MEDLINE, Veterinary Science Database
  • Anahtar Kelimeler: Catalytic reduction, Co(II), Docking, Ni(II), Triazole, Water treatment
  • Ondokuz Mayıs Üniversitesi Adresli: Evet

Özet

The research aimed to develop of a thiabendazole-derived dual metal sensing probe (TBZT) for the selective detection of metal ions and to explore its metal complexes in reducing environmental pollutants like nitro-phenol and dyes. Absorption and emission based studies predicted the selectivity and sensitivity of TBZT towards Ni(II) and Co(II) ions which was further validated by 1HNMR, Mass, FT-IR, DFT, Docking, electrochemical, TGA studies and vibrating sample magnetometer analysis techniques. Limit of detection (LOD) values were calculated as 2 × 10−10 M and 4.17 × 10−8 M for Ni(II) metal ion in emission and absorption based techniques respectively and 2.8 × 10−9 M and 4.5 × 10−6 M for Co(II). EDTA based Reversible binding behaviour suggested its potential for constructing molecular logic gates. Catalytic studies of metal complexes of TBZT with these metals demonstrated TBZT-Co(II) superior activity in reducing nitro-phenol, rhodamine B and methyl red. Real sample analysis validated its capability for the environmental monitoring of these metal ions. This emphasized its potential application in metal ion detection and catalysis.