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A phytochemical-containing metal-organic framework: synthesis, characterization and molecular simulations for hydrogen adsorption

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dc.contributor.coauthorDemir, Selcuk
dc.contributor.coauthorCepni, H. Merve
dc.contributor.coauthorTopcu, Yildiray
dc.contributor.coauthorHolynska, Malgorzata
dc.contributor.departmentDepartment of Chemical and Biological Engineering
dc.contributor.kuauthorKeskin, Seda
dc.contributor.schoolcollegeinstituteCollege of Engineering
dc.date.accessioned2024-11-10T00:00:58Z
dc.date.issued2015
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-2(fer)(2)]}(n) 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) x 17.2(1) angstrom. The total void volume of PhytoMOF-1 is similar to 3517 angstrom(3). N-2 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.
dc.description.indexedbyWOS
dc.description.indexedbyScopus
dc.description.openaccessNO
dc.description.publisherscopeInternational
dc.description.sponsoredbyTubitakEuN/A
dc.description.sponsorshipOMV Gaz ve Enerji Limited Sirketi - Turkey
dc.description.sponsorshipOndokuz Mayis University - Turkey [PYO.MUH.1905.11.002] This work was financially supported by OMV Gaz ve Enerji Limited Sirketi - Turkey and Ondokuz Mayis University - Turkey (PYO.MUH.1905.11.002). Prof. Dr. Stefanie Dehnen (generous support and helpful discussions) and Mr. Michael Marsch (help with X-ray diffraction studies) are gratefully acknowledged.
dc.description.volume427
dc.identifier.doi10.1016/j.ica.2014.12.010
dc.identifier.eissn1873-3255
dc.identifier.issn0020-1693
dc.identifier.quartileQ2
dc.identifier.scopus2-s2.0-84983283642
dc.identifier.urihttps://doi.org/10.1016/j.ica.2014.12.010
dc.identifier.urihttps://hdl.handle.net/20.500.14288/15872
dc.identifier.wos349462500018
dc.keywordsFerulic acid
dc.keywordsMetal-organic framework
dc.keywordsHydrogen storage
dc.keywordsPhytochemical
dc.language.isoeng
dc.publisherElsevier Science Sa
dc.relation.ispartofInorganica Chimica Acta
dc.subjectChemistry, inorganic
dc.subjectNuclear
dc.titleA phytochemical-containing metal-organic framework: synthesis, characterization and molecular simulations for hydrogen adsorption
dc.typeJournal Article
dspace.entity.typePublication
local.contributor.kuauthorKeskin, Seda
local.publication.orgunit1College of Engineering
local.publication.orgunit2Department of Chemical and Biological Engineering
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