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

Abstract

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 1 HNMR, Mass, FT-IR, DFT, Docking, electrochemical, TGA studies and vibrating sample magnetometer analysis techniques. Limit of detection (LOD) values were calculated as 2 x 10-10 M and 4.17 x 10- 8 M for Ni(II) metal ion in emission and absorption based techniques respectively and 2.8 x 10-9 M and 4.5 x 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.