Hf-Based MOF for Rapid and Selective Sensing of a Nerve Agent Simulant and an Aminophenol: Insights from Experiments and TheoryClick to copy article linkArticle link copied!
- Subhrajyoti GhoshSubhrajyoti GhoshDepartment of Chemistry, Indian Institute of Technology Guwahati, Guwahati 781039, Assam, IndiaMore by Subhrajyoti Ghosh
- Raju LipinRaju LipinDepartment of Chemical Sciences and Bernal Institute, University of Limerick, Limerick V94 T9PX, IrelandMore by Raju Lipin
- Apinya NgoipalaApinya NgoipalaDepartment of Chemical Sciences and Bernal Institute, University of Limerick, Limerick V94 T9PX, IrelandMore by Apinya Ngoipala
- Niklas RuserNiklas RuserInstitute of Inorganic Chemistry, Christian-Albrechts-University Kiel, Max-Eyth-Str. 2, 24118 Kiel, GermanyMore by Niklas Ruser
- Diletta Morelli VenturiDiletta Morelli VenturiInstitute of Inorganic Chemistry, Christian-Albrechts-University Kiel, Max-Eyth-Str. 2, 24118 Kiel, GermanyMore by Diletta Morelli Venturi
- Abhijeet RanaAbhijeet RanaDepartment of Chemistry, Indian Institute of Technology Guwahati, Guwahati 781039, Assam, IndiaMore by Abhijeet Rana
- Matthias Vandichel*Matthias Vandichel*Email: [email protected]Department of Chemical Sciences and Bernal Institute, University of Limerick, Limerick V94 T9PX, IrelandMore by Matthias Vandichel
- Shyam Biswas*Shyam Biswas*Email: [email protected]Department of Chemistry, Indian Institute of Technology Guwahati, Guwahati 781039, Assam, IndiaMore by Shyam Biswas
Abstract
The metal–organic framework (MOF) Hf-DUT-52 was prepared with diamino functionality by the solvothermal method. This material displayed fluorometric sensing ability toward a nerve agent simulant (diethyl chlorophosphate (DCP)) and 3-diethylaminophenol (3-DEAP). It is the first-ever reported fluorescent MOF sensor for DCP and 3-DEAP. Apart from a fast response (<5 s), the sensor had a very low detection limit for both DCP and DEAP (limit of detection (LOD) values for DCP and 3-DEAP sensing were 9 and 125 nM, respectively). The obtained detection limit is the second lowest among all of the reported optical sensors for DCP. The sensor also displayed its capability to identify the presence of trace amount of DCP in various natural water specimens with good selectivity. Moreover, MOF@cotton composites were developed for visual, on-site, nanomolar-level detection of both targeted analytes. Furthermore, a MOF@PVA thin film was fabricated and successfully utilized for the detection of highly volatile and deadly poisonous DCP in the vapor phase. The sensor was also recyclable for up to five cycles without losing appreciable efficiency. Density functional theory (DFT)-based periodic and cluster calculations were performed to shed light on the sensing ability of the MOF by studying the interactions of DCP and DEAP with the MOF. Our theoretical results reveal the importance of linker defects and water chemisorption on the adsorption/complexation of the analytes at uncoordinated Hf sites.
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