{"title":"A novel phthalohydrazide derivative as a multi-targeted fluorescent probe for monitoring trace Co2+ and Cu2+ in water","authors":"Luyue Wang, Yuzhu Chen, Zhengyang Xing, Jie Ma","doi":"10.1016/j.molstruc.2025.142120","DOIUrl":null,"url":null,"abstract":"<div><div>Real-time monitoring of metal ion species and concentrations in water is a highly active research field. In the paper, a novel fluorescent molecule, (E)-N'-((5-(9-phenyl-9H-carbazol-3-yl) thiophen-2-yl) methylene) terephthalohydrazide (PCTMT), is synthesized via Suzuki reaction and Schiff-base reaction in turn. In the DMF-H<sub>2</sub>O (70 % v/v) solvent system, the PCTMT presents a good aggregation-induced enhancement (AIE) fluorescent effect and good selectivity and anti-interference for monitoring Co<sup>2+</sup> and Cu<sup>2+</sup> in water with a wide pH range. The probe's detection limit (LOD) reached 28.2 nM and 38.7 nM for Co<sup>2+</sup> and Cu<sup>2+</sup>, respectively. The binding constants between PCTMT and Co<sup>2+</sup> and Cu<sup>2+</sup> are calculated as 1.8 ×10<sup>17</sup> M<sup>-2</sup> and 2.3 ×10<sup>16</sup> M<sup>-2</sup>, at a 2:1 mol ratio. In the probe system, Co<sup>2+</sup> and Cu<sup>2+</sup>can be distinguished by oxalate titration. The detection mechanism is discussed through testing analyses with the theoretical simulation calculation via the density functional theory (DFT) and time-dependent density functional theory (TD-DFT). The probe also indicates good detection capacities in real water samples. This study may promote the development of coordinated-type ion probes and innovation in water quality detection technology.</div></div>","PeriodicalId":16414,"journal":{"name":"Journal of Molecular Structure","volume":"1336 ","pages":"Article 142120"},"PeriodicalIF":4.0000,"publicationDate":"2025-03-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Molecular Structure","FirstCategoryId":"92","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0022286025008051","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
引用次数: 0
Abstract
Real-time monitoring of metal ion species and concentrations in water is a highly active research field. In the paper, a novel fluorescent molecule, (E)-N'-((5-(9-phenyl-9H-carbazol-3-yl) thiophen-2-yl) methylene) terephthalohydrazide (PCTMT), is synthesized via Suzuki reaction and Schiff-base reaction in turn. In the DMF-H2O (70 % v/v) solvent system, the PCTMT presents a good aggregation-induced enhancement (AIE) fluorescent effect and good selectivity and anti-interference for monitoring Co2+ and Cu2+ in water with a wide pH range. The probe's detection limit (LOD) reached 28.2 nM and 38.7 nM for Co2+ and Cu2+, respectively. The binding constants between PCTMT and Co2+ and Cu2+ are calculated as 1.8 ×1017 M-2 and 2.3 ×1016 M-2, at a 2:1 mol ratio. In the probe system, Co2+ and Cu2+can be distinguished by oxalate titration. The detection mechanism is discussed through testing analyses with the theoretical simulation calculation via the density functional theory (DFT) and time-dependent density functional theory (TD-DFT). The probe also indicates good detection capacities in real water samples. This study may promote the development of coordinated-type ion probes and innovation in water quality detection technology.
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