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dc.contributor.authorDietzel, Pascal D.C.
dc.contributor.authorGeorgiev, Peter A.
dc.contributor.authorFrøseth, Morten
dc.contributor.authorJohnsen, Rune E.
dc.contributor.authorFjellvåg, Helmer
dc.contributor.authorBlom, Richard
dc.date.accessioned2021-04-15T14:31:51Z
dc.date.available2021-04-15T14:31:51Z
dc.date.created2020-09-30T20:39:44Z
dc.date.issued2020
dc.PublishedChemistry - A European Journal. 2020, 1-10.
dc.identifier.issn0947-6539
dc.identifier.urihttps://hdl.handle.net/11250/2737967
dc.description.abstractFour isostructural CPO‐54‐M metal‐organic frameworks based on the larger organic linker 1,5‐dihydroxynaphthalene‐2,6‐dicarboxylic acid and divalent cations (M=Mn, Mg, Ni, Co) are shown to be isoreticular to the CPO‐27 (MOF‐74) materials. Desolvated CPO‐54‐Mn contains a very high concentration of open metal sites, which has a pronounced effect on the gas adsorption of N2, H2, CO2 and CO. Initial isosteric heats of adsorption are significantly higher than for MOFs without open metal sites and are slightly higher than for CPO‐27. The plateau of high heat of adsorption decreases earlier in CPO‐54‐Mn as a function of loading per mole than in CPO‐27‐Mn. Cluster and periodic density functional theory based calculations of the adsorbate structures and energetics show that the larger adsorption energy at low loadings, when only open metal sites are occupied, is mainly due to larger contribution of dispersive interactions for the materials with the larger, more electron rich bridging ligand.en_US
dc.language.isoengen_US
dc.publisherWileyen_US
dc.rightsNavngivelse-Ikkekommersiell 4.0 Internasjonal*
dc.rights.urihttp://creativecommons.org/licenses/by-nc/4.0/deed.no*
dc.titleEffect of Larger Pore Size on the Sorption Properties of Isoreticular Metal–Organic Frameworks with High Number of Open Metal Sitesen_US
dc.typeJournal articleen_US
dc.typePeer revieweden_US
dc.description.versionpublishedVersionen_US
dc.rights.holderCopyright 2020 The Authorsen_US
cristin.ispublishedtrue
cristin.fulltextoriginal
cristin.qualitycode2
dc.identifier.doi10.1002/chem.202001825
dc.identifier.cristin1835869
dc.source.journalChemistry - A European Journalen_US
dc.source.pagenumber13523-13531en_US
dc.identifier.citationChemistry - A European Journal. 2020, 26 (59), 13523-13531.en_US
dc.source.volume26en_US
dc.source.issue59en_US


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