Publication:
Two novel 2D and 3D coordination polymers constructed from pyrazine-2,3-dicarboxylic acid and chloride bridged secondary building units

dc.contributor.coauthorGunay, Gunes
dc.contributor.coauthorYesilel, Okan Zafer
dc.contributor.coauthorSoylu, Mustafa Serkan
dc.contributor.coauthorDal, Hakan
dc.contributor.departmentDepartment of Chemical and Biological Engineering
dc.contributor.kuauthorKeskin, Seda
dc.contributor.kuprofileFaculty Member
dc.contributor.otherDepartment of Chemical and Biological Engineering
dc.contributor.schoolcollegeinstituteCollege of Engineering
dc.contributor.yokid40548
dc.date.accessioned2024-11-09T23:39:03Z
dc.date.issued2011
dc.description.abstractThe synthesis, spectroscopic properties and crystal structures of {[Cu-2(mu-Cl)(2)(mu(3)-Hpzdc)(Cl)(H2O)(2)]center dot 1.5H(2)O}(n) (1) and {[Cd(mu-Cl)(mu-Hpzdc)]center dot H2O)}(n) (2) complexes were reported (H(2)pzdc = pyrazine-2,3-dicarboxylic acid). H(2)pzdc is singly deprotonated in both complexes and the coordination mode of Hpzdc ligand in 1 has been first reported in this presentation. The complex 1, which has a 3D framework structure, was formed with double mu-chloride and mu(3)-Hpzdc bridges. In 1, water molecules occupy in the 1D channel as guest molecules. Furthermore, unprecedented 1D hybrid water-chloride anionic [(H2O)(8)Cl-2](n) cluster has been structurally identified. In the complex 2, the Cd(II) atom is seven-coordinated by two hydrogen pyrazine-2,3-dicarboxylate, two chloride and one aqua ligands in a distorted monocapped octahedral coordination geometry. The Cd(II) atoms are bridged by the bis(bidentate) Hpzdc ligands, forming 1D polymer chain. The adjacent 10 chains are linked each other through the double chloride bridges to form 20 layer. The layers are connected together through O-H center dot center dot center dot O interactions resulting in a three-dimensional framework. The mechanisms for these compounds were validated by density functional theory (DFT) calculations on the experimental geometries. The photoluminescent property of 2 was investigated in the solid state at room temperature. Moreover, in order to assess the potentials of 1 and 2 in gas storage applications, we performed atomically detailed simulations.
dc.description.indexedbyWoS
dc.description.indexedbyScopus
dc.description.issue21-22
dc.description.openaccessNO
dc.description.publisherscopeInternational
dc.description.sponsorshipThe Scientific and Technological Research Council of Turkey (TUBITAK) [109T201] This work has been supported by The Scientific and Technological Research Council of Turkey (TUBITAK, no. 109T201). We also thank Anadolu University and Medicinal Plants and Medicine Research Center of Anadolu University Eskisehir, for allowing us to use the X-ray facility.
dc.description.volume161
dc.identifier.doi10.1016/j.synthmet.2011.09.033
dc.identifier.issn0379-6779
dc.identifier.quartileQ2
dc.identifier.scopus2-s2.0-80055097433
dc.identifier.urihttp://dx.doi.org/10.1016/j.synthmet.2011.09.033
dc.identifier.urihttps://hdl.handle.net/20.500.14288/13052
dc.identifier.wos297878100046
dc.keywordsPyrazine-2,3-Dicarboxylic Acid
dc.keywordsPyrazine-2,3-dicarboxylate complexes
dc.keywordsMetal-organic framework
dc.keywordsWater-chloride clusters crystal-structure
dc.keywordsMagnetic-properties
dc.keywordsFramework materials
dc.keywordsLight gases
dc.keywordsWater
dc.keywordsTransition
dc.keywordsAdsorption
dc.keywordsComplexes
dc.keywordsSimulations
dc.keywordsCopper(Ii)
dc.languageEnglish
dc.publisherElsevier Science Sa
dc.sourceSynthetic Metals
dc.subjectMaterials science
dc.subjectPhysics
dc.subjectCondensed matter
dc.subjectPolymer science
dc.titleTwo novel 2D and 3D coordination polymers constructed from pyrazine-2,3-dicarboxylic acid and chloride bridged secondary building units
dc.typeJournal Article
dspace.entity.typePublication
local.contributor.authorid0000-0001-5968-0336
local.contributor.kuauthorKeskin, Seda
relation.isOrgUnitOfPublicationc747a256-6e0c-4969-b1bf-3b9f2f674289
relation.isOrgUnitOfPublication.latestForDiscoveryc747a256-6e0c-4969-b1bf-3b9f2f674289

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