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| Format: | Artículo Open Access |
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Wiley
2026
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| Online Access: | https://onlinelibrary.wiley.com/doi/10.1002/aoc.70521 |
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| author | Parveen Saini Nancy George Punita Tiwari Gurjaspreet Singh Manraj Singh Gurpreet Kaur Jandeep Singh Harminder Singh Monika Sindhu Jigisha Anand |
| author_facet | Parveen Saini Nancy George Punita Tiwari Gurjaspreet Singh Manraj Singh Gurpreet Kaur Jandeep Singh Harminder Singh Monika Sindhu Jigisha Anand Parveen Saini Nancy George Punita Tiwari Gurjaspreet Singh Manraj Singh Gurpreet Kaur Jandeep Singh Harminder Singh Monika Sindhu Jigisha Anand |
| collection | Wiley Open Access |
| contents | A Multifunctional Sudan IV–Based 1,2,3‐Triazole Sensor: Selective Colorimetric Detection of Ferric Ions: DFT Modeling and Spectroscopic Investigations Parveen Saini Nancy George Punita Tiwari Gurjaspreet Singh Manraj Singh Gurpreet Kaur Jandeep Singh Harminder Singh Monika Sindhu Jigisha Anand Applied Organometallic Chemistry ABSTRACT The development of efficient and selective chemosensors for detection of ions is vital owing to their environmental and biological significance. Among these cations, Fe 3+ plays crucial role in physiological processes but also poses toxicity risks above threshold levels. The traditional analytical tools require complex instrumentation and there is prompt need for simple and colorimetric alternatives. CuAAC reaction hands us with powerful strategy for synthesizing a novel Sudan IV–based 1,2,3‐triazole derivative for its selective colorimetric response to Fe 3+ , that can find practical applications. This research investigates use of “Sudan IV–based triazole chemosensor ( ST )” via the “CuAAC” click reaction for selective colorimetric sensing of Fe 3+ ions. The developed chemosensor ST was successfully characterized by FTIR, NMR ( 1 H, 13 C) and mass spectrometry. The UV–vis investigation of ST was conducted in “CH 3 CN:H 2 O, 4:1 v/v,” solvent medium using 0.20 mM solution of heterocyclic compound ST and 0.50 mM solutions of various metals such as Na + , K + , Ba 2+ , Cr 3+ , Mn 2+ , Fe 2+ , Fe 3+ , Co 2+ , Ni 2+ , Zn 2+ , Cd 2+ , and Hg 2+ were tested, with notable change using Fe 3+ ions. The molecule ST exhibited LoD of 6.50 μM with negligible effect of interferent ions on selectivity and sensitivity. The Job's plot illustrated 1:1 stoichiometric ratio between the ST :Fe 3+ complex. DFT simulations were performed using B3LYP/6/311G++(d,p) for ST and B3LYP/LANL2DZ for metal complex to investigate binding interactions. The reversible nature of the ST marks its importance to have potential to act as chemosensor multiple times without being degraded. The integrated experimental and theoretical results prove to be reliable for the detection of Fe 3+ with potential applications in environmental monitoring, analytical chemistry, as well as biochemical applications. 10.1002/aoc.70521 http://onlinelibrary.wiley.com/termsAndConditions#vor |
| doi_str_mv | 10.1002/aoc.70521 |
| format | Artículo Open Access |
| id | wiley_oa_10_1002_aoc_70521 |
| institution | Wiley Open Access |
| license_str_mv | http://onlinelibrary.wiley.com/termsAndConditions#vor |
| publishDate | 2026 |
| publisher | Wiley |
| record_format | wiley_oa |
| spellingShingle | A Multifunctional Sudan IV–Based 1,2,3‐Triazole Sensor: Selective Colorimetric Detection of Ferric Ions: DFT Modeling and Spectroscopic Investigations Parveen Saini Nancy George Punita Tiwari Gurjaspreet Singh Manraj Singh Gurpreet Kaur Jandeep Singh Harminder Singh Monika Sindhu Jigisha Anand Applied Organometallic Chemistry A Multifunctional Sudan IV–Based 1,2,3‐Triazole Sensor: Selective Colorimetric Detection of Ferric Ions: DFT Modeling and Spectroscopic Investigations Parveen Saini Nancy George Punita Tiwari Gurjaspreet Singh Manraj Singh Gurpreet Kaur Jandeep Singh Harminder Singh Monika Sindhu Jigisha Anand Applied Organometallic Chemistry ABSTRACT The development of efficient and selective chemosensors for detection of ions is vital owing to their environmental and biological significance. Among these cations, Fe 3+ plays crucial role in physiological processes but also poses toxicity risks above threshold levels. The traditional analytical tools require complex instrumentation and there is prompt need for simple and colorimetric alternatives. CuAAC reaction hands us with powerful strategy for synthesizing a novel Sudan IV–based 1,2,3‐triazole derivative for its selective colorimetric response to Fe 3+ , that can find practical applications. This research investigates use of “Sudan IV–based triazole chemosensor ( ST )” via the “CuAAC” click reaction for selective colorimetric sensing of Fe 3+ ions. The developed chemosensor ST was successfully characterized by FTIR, NMR ( 1 H, 13 C) and mass spectrometry. The UV–vis investigation of ST was conducted in “CH 3 CN:H 2 O, 4:1 v/v,” solvent medium using 0.20 mM solution of heterocyclic compound ST and 0.50 mM solutions of various metals such as Na + , K + , Ba 2+ , Cr 3+ , Mn 2+ , Fe 2+ , Fe 3+ , Co 2+ , Ni 2+ , Zn 2+ , Cd 2+ , and Hg 2+ were tested, with notable change using Fe 3+ ions. The molecule ST exhibited LoD of 6.50 μM with negligible effect of interferent ions on selectivity and sensitivity. The Job's plot illustrated 1:1 stoichiometric ratio between the ST :Fe 3+ complex. DFT simulations were performed using B3LYP/6/311G++(d,p) for ST and B3LYP/LANL2DZ for metal complex to investigate binding interactions. The reversible nature of the ST marks its importance to have potential to act as chemosensor multiple times without being degraded. The integrated experimental and theoretical results prove to be reliable for the detection of Fe 3+ with potential applications in environmental monitoring, analytical chemistry, as well as biochemical applications. 10.1002/aoc.70521 http://onlinelibrary.wiley.com/termsAndConditions#vor |
| title | A Multifunctional Sudan IV–Based 1,2,3‐Triazole Sensor: Selective Colorimetric Detection of Ferric Ions: DFT Modeling and Spectroscopic Investigations |
| topic | Applied Organometallic Chemistry |
| url | https://onlinelibrary.wiley.com/doi/10.1002/aoc.70521 |