Synthesis, characterisation and application of thiol-based spectroscopic and electrochemical sensors for detection of iron(III) in environmental samples – A DFT supported comparative study
Year: 2025
Type: article
Abstract: In the present work, a thiol, 4-((4-hydroxybenzylidene)amino)-N-(4-mercaptophenyl)benzamide (HBMB) was synthesised and subjected to UV-visible measurements for assessing its sensing potential towards diverse metal ions. HBMB was found to exhibit sensitivity towards Fe3+ over a wide linear concentration range from 0.66 µM to 38.46 µM (r2 = 0.986 ± 0.005) with a detection limit of 3.60 × 10−7 M. Electrochemical behaviour of HBMB was investigated using CV and DPV which displayed oxidation peaks at 1.01 V and 0.949 V, respectively. In DPV titration, HBMB exhibited sensitivity towards Fe3+ in a linear concentration range from 0.2 µM to 5.56 µM with a detection limit of 5.17 × 10−6 M. HBMB incorporating Fe3+-CPE was found to exhibit Nernstian slope of 18.3 mVdec−1 in the concentration range of 1.00 × 10−5 M - 1.00 × 10−1 M and detection limit of 3.98 × 10−6 M with a short response time of 10 s. DFT studies also confirmed HBMB-Fe3+ complexation with increase in HOMO-LUMO gap from 0.05 hartree to 0.14 hartree and negative binding energy of −0.013 hartree. Moreover, HBMB-based sensors was successfully applied for estimating Fe3+ content in different real samples of water, soil and food grains which could be extended to other samples of biological and environmental importance.
Source: Figshare
Authors: Sharma, Manish, Khurana, Palak, Singh, Manpreet, Kang, Tejwant Singh, Kaur, Inderpreet
Language: English
Subfield: Spectroscopy
Field: Chemistry
Domain: Physical Sciences
Open Access status: green
OpenAlex ID: W6958829055
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