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A Phytochemical-Containing Metal–Organic Framework: Synthesis, Characterization and Molecular Simulations for Hydrogen Adsorption

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dc.authorscopusid7006702492
dc.authorscopusid57190817322
dc.authorscopusid6603007969
dc.authorscopusid35569534900
dc.authorscopusid59534631000
dc.contributor.authorDemir, S.
dc.contributor.authorMerve Çepni, H.
dc.contributor.authorTopcu, Y.
dc.contributor.authorHołyńska, M.
dc.contributor.authorKeskin, S.
dc.date.accessioned2020-06-21T13:47:49Z
dc.date.available2020-06-21T13:47:49Z
dc.date.issued2015
dc.departmentOndokuz Mayıs Üniversitesien_US
dc.department-temp[Demir] Selcuk, Department of Chemistry, Recep Tayyip Erdogan University, Rize, Turkey; [Merve Çepni] H., Department of Chemistry, Recep Tayyip Erdogan University, Rize, Turkey; [Topcu] Yildiray, Department of Chemical Engineering, Ondokuz Mayis Üniversitesi, Samsun, Turkey; [Hołyńska] Małgorzata, Department of Chemistry, Philipps-Universität Marburg, Marburg, Hessen, Germany; [Keskin] Seda, Department of Chemical and Biological Engineering, Koç University, Istanbul, Turkeyen_US
dc.description.abstractAs a result of involvement of all carboxylato/methoxo/oxo donor oxygen atoms of a phytochemical ferulic acid with zinc ions, a Zn-ferulate metal–organic framework (PhytoMOF-1), {[Zn<inf>2</inf>(fer)<inf>2</inf>]}<inf>n</inf>is formed. The structure of PhytoMOF-1 was characterized by single crystal X-ray diffraction studies. PhytoMOF-1 contains channels with a considerable diameter of 15.1(1) × 17.2(1) Å. The total void volume of PhytoMOF-1 is ∼3517 Å3. N<inf>2</inf>adsorption/desorption analyses indicate that the PhytoMOF-1 is porous. Molecular simulations show that PhytoMOF-1 might store hydrogen. The luminescent properties of PhytoMOF-1 are quenched upon the adsorption of toluene and nitrobenzene. © 2014 Elsevier B.V.en_US
dc.identifier.doi10.1016/j.ica.2014.12.010
dc.identifier.endpage143en_US
dc.identifier.issn0020-1693
dc.identifier.issn1873-3255
dc.identifier.scopus2-s2.0-84983283642
dc.identifier.scopusqualityQ2
dc.identifier.startpage138en_US
dc.identifier.urihttps://doi.org/10.1016/j.ica.2014.12.010
dc.identifier.volume427en_US
dc.identifier.wosWOS:000349462500018
dc.identifier.wosqualityQ2
dc.language.isoenen_US
dc.publisherElsevier S.A.en_US
dc.relation.ispartofInorganica Chimica Actaen_US
dc.relation.journalInorganica Chimica Actaen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectFerulic Aciden_US
dc.subjectHydrogen Storageen_US
dc.subjectMetal–Organic Frameworken_US
dc.subjectMolecular Simulationsen_US
dc.subjectPhytochemicalen_US
dc.titleA Phytochemical-Containing Metal–Organic Framework: Synthesis, Characterization and Molecular Simulations for Hydrogen Adsorptionen_US
dc.typeArticleen_US
dspace.entity.typePublication

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