Dansyl based selective fluorescence sensor for Hg in aqueous environment: an experimental and computational studies-Reference-Cited by-同舟云学术

Dansyl based selective fluorescence sensor for Hg in aqueous environment: an experimental and computational studies

Published:2023-07-24 Issue:9 Volume:237 Page:1311-1323
ISSN:0942-9352
Container-title:Zeitschrift für Physikalische Chemie
language:en
Short-container-title:

Author:

Qureshi Naseem¹,Ali Mahar²,Shah Shahen²,Hussain Manzoor²,Hassan Mehdi³,Khan Hawas³,Ibrahim Sobhy M.⁴,Iqbal Munawar⁵⁶,Nazir Arif⁷,Younas Umer⁷

Affiliation:

1. Institute of Chemistry, Shah Abdul Latif University , Khairpur Shidh , Pakistan

2. Department of Chemistry , Karakoram International University , Gilgit 15100 Gilgit , Pakistan

3. Department of Earth Sciences , Karakoram International University , Gilgit 15100 Gilgit , Pakistan

4. Department of Biochemistry, College of Science , King Saud University , P.O. Box: 2455 , Riyadh 11451 , Saudi Arabia

5. Department of Chemical and Pharmaceutical Sciences , University of Trieste , 34127 Trieste , Italy

6. Department of Chemistry, Division of Science and Technology , University of Education , Lahore , Pakistan

7. Department of Chemistry , The University of Lahore , Lahore , Pakistan

Abstract

Abstract The selective fluorescence sensors are used for the analysis of toxic pollutants in the environment. In this study, phenol dansyl amide (PDA) was prepared as highly stable fluorescence ligand by using nucleophilic substitution reaction. Its interaction with eighteen different cations including Hg2+ and series of anions were investigated by using UV-visible and fluorescent spectrophotometry. However, PDA significantly indicated high sensitivity and selective quenching effect towards mercury ion. Furthermore, Density Functional Theory (DFT) along with the B3LYP method was implemented to explore minimum energy complex and fluorescence mechanism. The computed results revealed that among four possible optimized complexes of PDA and Hg+ ion, the first complex (PDA-Hg2+–I) was observed to be the most stable complex with the estimated energy difference of 8.91 kcal/mol and intermolecular charge transfer mechanism was observed in the same complex by HOMO and LUMO computation.

Publisher

Walter de Gruyter GmbH

Subject

Physical and Theoretical Chemistry

Link

https://www.degruyter.com/document/doi/10.1515/zpch-2022-0172/pdf

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