Ultrasonic assisted synthesis of Zn(II) 2D coordination polymer and 4-nitroaniline photoluminescence sensing manifestation through DFT studies

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dc.authoridGilani, Mazhar/0000-0003-0366-4374
dc.authoridSharif, Shahzad/0000-0001-5400-1154
dc.contributor.authorRiasat, Madiha
dc.contributor.authorSharif, Shahzad
dc.contributor.authorKhurshid, Shazia
dc.contributor.authorFarid, Sidra
dc.contributor.authorBano, Rehana
dc.contributor.authorGilani, Mazhar Amjad
dc.contributor.authorSahin, Onur
dc.date.accessioned2025-03-23T19:35:23Z
dc.date.available2025-03-23T19:35:23Z
dc.date.issued2022
dc.departmentSinop Üniversitesi
dc.description.abstractZinc(II) 2 D polymer, [Zn(3,5-Pydc)(0.5)center dot H2O](n) (1) {3,5-Pydc = pyridine-3,5-dicarboxylate anion}, has been prepared under sonication conditions. The natural bond orbital (NBO) analysis revealed that charge transfer transitions in the vicinity of Zn(II) is accompanied with the highest stabilization energy of 140.13 kcal/mol. Furthermore, molecular electrostatic potential (MEP) analysis has been carried out to identify the reactive sites over the surface of the complex. 1 was characterized by elemental analysis, FTIR spectroscopy, thermal analysis and single crystal X-ray diffraction. The metal-based luminescence properties revealed that 1 can be used as selective chemosensor against 4-nitroaniline. Complex 1 showed excellent quenching efficiency of 98.9% with K-SV value of 3.7 x 10(5) M-1. Density functional theory simulations complement to the specific luminescence quenching of 1 against 4-nitroaniline.
dc.description.sponsorshipHigher Education Commission of Pakistan, HEC project [01-ISULL/09/GCUL/ACAD/HEC/2017/166]; Office of Research Innovation & Commercialization GC University, Lahore, ORIC project [108/ORIC/19]
dc.description.sponsorshipWe gratefully acknowledge financial assistance from the Higher Education Commission of Pakistan, HEC project no. 01-ISULL/09/GCUL/ACAD/HEC/2017/166 and Office of Research Innovation & Commercialization GC University, Lahore, ORIC project no. 108/ORIC/19.
dc.identifier.doi10.1080/00958972.2022.2046268
dc.identifier.endpage447
dc.identifier.issn0095-8972
dc.identifier.issn1029-0389
dc.identifier.issue3-4
dc.identifier.scopus2-s2.0-85126148675
dc.identifier.scopusqualityQ3
dc.identifier.startpage431
dc.identifier.urihttps://doi.org/10.1080/00958972.2022.2046268
dc.identifier.urihttps://hdl.handle.net/11486/5858
dc.identifier.volume75
dc.identifier.wosWOS:000765677900001
dc.identifier.wosqualityQ3
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherTaylor & Francis Ltd
dc.relation.ispartofJournal of Coordination Chemistry
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.snmzKA_WOS_20250323
dc.subjectUltrasonic
dc.subjectzinc 2D polymer
dc.subjectphotoluminescence quenching
dc.subjectDFT studies
dc.titleUltrasonic assisted synthesis of Zn(II) 2D coordination polymer and 4-nitroaniline photoluminescence sensing manifestation through DFT studies
dc.typeArticle

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