Facile synthesis of 2D Zn(II) coordination polymer and its crystal structure, selective removal of methylene blue and molecular simulations

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dc.authoriderucar findikci, ilknur/0000-0002-6059-6067
dc.authoridYESILEL, Okan Zafer/0000-0002-2284-1578
dc.authoridSahin, Onur/0000-0003-3765-3235
dc.authoridArslanoglu, Hasan/0000-0002-3132-4468
dc.contributor.authorSezer, Gunes Gunay
dc.contributor.authorYesilel, Okan Zafer
dc.contributor.authorSahin, Onur
dc.contributor.authorArslanoglu, Hasan
dc.contributor.authorErucar, Ilknur
dc.date.accessioned2025-03-23T19:39:37Z
dc.date.available2025-03-23T19:39:37Z
dc.date.issued2017
dc.departmentSinop Üniversitesi
dc.description.abstractA new coordination polymer {[Zn(mu(3)-ppda)(H2O)(mu-bpa)Zn(mu-ppda)(mu-bpa)]center dot 4H(2)O)(n) (1) (ppda = 1,4-phenylenediacetate, bpa = 1,2-bis(4-pyridyl)ethane) has been synthesized by microwave-assisted reaction and characterized by elemental analysis, IR spectroscopy, single-crystal and powder X-ray diffractions. The asymmetric unit of 1 consists of two Zn(II) ions, two bpa ligands, two ppda ligands, one coordinated and four non-coordinated water molecules. In 1, ppda(2-) anions are linked the adjacent Zn(II) centers to generate 1D double-stranded chains. These chains are connected into 2D sheets by the bridging bpa ligands. Atomically detailed modeling was performed to compute single and binary component adsorption isotherms of H-2, CO2, CH4 and N-2 in complex 1. Results showed that 1 exhibits a high adsorption selectivity towards CO2 due to its high affinity for CO2. Results of this study will be helpful to guide the microwave-assisted reaction of coordination polymers to design promising adsorbents for gas storage and gas separation applications. The luminescent property of 1 and the selective removal of dyes in I have been also discussed. Results showed that 1 can be a potential candidate for luminescence applications and can selectively adsorb methylene blue (MB) dye molecules. (C) 2017 Elsevier B.V. All rights reserved.
dc.description.sponsorshipEskisehir Osmangazi University-Turkey [201519029]
dc.description.sponsorshipThis work has been supported by the Research Fund of Eskisehir Osmangazi University-Turkey by project Number: 201519029.
dc.identifier.doi10.1016/j.molstruc.2017.04.099
dc.identifier.endpage361
dc.identifier.issn0022-2860
dc.identifier.issn1872-8014
dc.identifier.scopus2-s2.0-85018959313
dc.identifier.scopusqualityQ1
dc.identifier.startpage355
dc.identifier.urihttps://doi.org/10.1016/j.molstruc.2017.04.099
dc.identifier.urihttps://hdl.handle.net/11486/6393
dc.identifier.volume1143
dc.identifier.wosWOS:000403122700039
dc.identifier.wosqualityQ2
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherElsevier
dc.relation.ispartofJournal of Molecular Structure
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.snmzKA_WOS_20250323
dc.subjectCoordination polymers
dc.subject1,4-Phenylenediacetate
dc.subject1,2-Bis(4-pyridyl)ethane
dc.subjectMicrowave-assisted method
dc.subjectMolecular simulation
dc.subjectMethylene blue
dc.titleFacile synthesis of 2D Zn(II) coordination polymer and its crystal structure, selective removal of methylene blue and molecular simulations
dc.typeArticle

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