{"title":"吡啶基希夫碱作为Zn2+化学传感器:实验和理论研究†","authors":"Priyamvada Kumari, Narayan Sahoo, Neha Kumari, Minati Baral and Arun Kumar Padhy","doi":"10.1039/D5NJ01350J","DOIUrl":null,"url":null,"abstract":"<p >A novel julolidine-derived Schiff base (<strong>L<small><sub>1</sub></small></strong>) was synthesized through a facile one-step condensation reaction and evaluated for its potential as a fluorescent chemosensor. <strong>L<small><sub>1</sub></small></strong> exhibited exceptional selectivity and sensitivity toward Zn<small><sup>2+</sup></small> ions in an ethanolic medium, displaying a ‘turn-on’ fluorescence response with a significant blue shift in emission and a 12-fold enhancement in fluorescence intensity. The binding mechanism was investigated <em>via</em> DFT calculations, stacked NMR spectroscopy, and Job's plot analysis. The inhibition of ESIPT and the activation of CHEF pathways confirmed the proposed sensing mechanism. This process, coupled with increased molecular rigidity, also enhanced the fluorescence quantum yield from 0.00174 to 0.00230. The binding constant and detection limit for Zn<small><sup>2+</sup></small> were determined to be 1.57 × 10<small><sup>7</sup></small> M<small><sup>−1</sup></small> and 1.61 μM, respectively, with the DFT results aligning closely with experimental absorption data.</p>","PeriodicalId":95,"journal":{"name":"New Journal of Chemistry","volume":" 26","pages":" 11241-11253"},"PeriodicalIF":2.5000,"publicationDate":"2025-05-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Julolidine-based Schiff's base as a Zn2+ chemosensor: experimental and theoretical study†\",\"authors\":\"Priyamvada Kumari, Narayan Sahoo, Neha Kumari, Minati Baral and Arun Kumar Padhy\",\"doi\":\"10.1039/D5NJ01350J\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p >A novel julolidine-derived Schiff base (<strong>L<small><sub>1</sub></small></strong>) was synthesized through a facile one-step condensation reaction and evaluated for its potential as a fluorescent chemosensor. <strong>L<small><sub>1</sub></small></strong> exhibited exceptional selectivity and sensitivity toward Zn<small><sup>2+</sup></small> ions in an ethanolic medium, displaying a ‘turn-on’ fluorescence response with a significant blue shift in emission and a 12-fold enhancement in fluorescence intensity. The binding mechanism was investigated <em>via</em> DFT calculations, stacked NMR spectroscopy, and Job's plot analysis. The inhibition of ESIPT and the activation of CHEF pathways confirmed the proposed sensing mechanism. This process, coupled with increased molecular rigidity, also enhanced the fluorescence quantum yield from 0.00174 to 0.00230. The binding constant and detection limit for Zn<small><sup>2+</sup></small> were determined to be 1.57 × 10<small><sup>7</sup></small> M<small><sup>−1</sup></small> and 1.61 μM, respectively, with the DFT results aligning closely with experimental absorption data.</p>\",\"PeriodicalId\":95,\"journal\":{\"name\":\"New Journal of Chemistry\",\"volume\":\" 26\",\"pages\":\" 11241-11253\"},\"PeriodicalIF\":2.5000,\"publicationDate\":\"2025-05-21\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"New Journal of Chemistry\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://pubs.rsc.org/en/content/articlelanding/2025/nj/d5nj01350j\",\"RegionNum\":3,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"CHEMISTRY, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"New Journal of Chemistry","FirstCategoryId":"92","ListUrlMain":"https://pubs.rsc.org/en/content/articlelanding/2025/nj/d5nj01350j","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
Julolidine-based Schiff's base as a Zn2+ chemosensor: experimental and theoretical study†
A novel julolidine-derived Schiff base (L1) was synthesized through a facile one-step condensation reaction and evaluated for its potential as a fluorescent chemosensor. L1 exhibited exceptional selectivity and sensitivity toward Zn2+ ions in an ethanolic medium, displaying a ‘turn-on’ fluorescence response with a significant blue shift in emission and a 12-fold enhancement in fluorescence intensity. The binding mechanism was investigated via DFT calculations, stacked NMR spectroscopy, and Job's plot analysis. The inhibition of ESIPT and the activation of CHEF pathways confirmed the proposed sensing mechanism. This process, coupled with increased molecular rigidity, also enhanced the fluorescence quantum yield from 0.00174 to 0.00230. The binding constant and detection limit for Zn2+ were determined to be 1.57 × 107 M−1 and 1.61 μM, respectively, with the DFT results aligning closely with experimental absorption data.