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Park, Noejung
Computational Physics & Electronic Structure Lab
Research Interests
  • Electronic structure calculation, computational physics, computational material science

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Metal-organic frameworks constructed from flexible ditopic ligands: Conformational diversity of an aliphatic ligand

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dc.contributor.author Kim, Tae Kyung ko
dc.contributor.author Lee, Kyung Joo ko
dc.contributor.author Choi, Min ko
dc.contributor.author Park, Noejung ko
dc.contributor.author Moon, Dohyun ko
dc.contributor.author Moon, Hoi Ri ko
dc.date.available 2014-04-09T08:34:54Z -
dc.date.created 2013-12-02 ko
dc.date.issued 2013-12 ko
dc.identifier.citation NEW JOURNAL OF CHEMISTRY, v.37, no.12, pp.4130 - 4139 ko
dc.identifier.issn 1144-0546 ko
dc.identifier.uri https://scholarworks.unist.ac.kr/handle/201301/2682 -
dc.description.abstract The solvothermal reaction of adipic acid as a flexible ditopic ligand and the metal ions MnII, CoII, and TbIII afforded three novel metal-organic frameworks (MOFs), {[Mn2(adipate) 2(DMA)]} (1), {[Co2(adipate)2(DMF)] ·1DMF·1.5H2O} (2), and {[Tb3(adipate) 4.5(DMF)2]} (3) (DMA = N,N-dimethylacetamide; DMF = N,N-dimethylformamide), respectively, which were structurally characterized by single-crystal X-ray diffraction. Depending on the kind of metal ion and solvent system, the conformations and coordination modes of the adipate ligands were diverse and governed the entire MOF structure. Compound 1 consists of the secondary building units (SBUs) of Mn-O chains that were linked by adipate ligands extending in two-dimensional sheets, which were infinitely stacked in a layer-by-layer manner. Compound 2 presented a three-dimensional MOF constructed from Co-O chains and bridging adipate ligands extending in four different directions. Compound 3 also had a three-dimensional structure which was formed by Tb-O chains connected with adipate ligands in six directions. From these structures, ten different adipate ligands with diverse conformations were found, and the potential energy of each conformation was calculated by the first-principles density function. In addition, the luminescence properties of the Tb-based MOF 3 were investigated in the solid state at room temperature. ko
dc.description.statementofresponsibility close -
dc.language 영어 ko
dc.publisher ROYAL SOC CHEMISTRY ko
dc.title Metal-organic frameworks constructed from flexible ditopic ligands: Conformational diversity of an aliphatic ligand ko
dc.type ARTICLE ko
dc.identifier.scopusid 2-s2.0-84887831853 ko
dc.identifier.wosid 000326984000045 ko
dc.type.rims ART ko
dc.description.wostc 0 *
dc.description.scopustc 0 *
dc.date.tcdate 2015-02-28 *
dc.date.scptcdate 2014-08-27 *
dc.identifier.doi 10.1039/c3nj00812f ko
dc.identifier.url http://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=84887831853 ko
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