Water Interactions In Metal Organic Frameworks

dc.contributor.ISNI0000 0000 4239 3958 (Chabal, YJ)en_US
dc.contributor.LCNA89624105 (Chabal, YJ)en_US
dc.contributor.ResIDA-5998-2011 (Chabal, YJ)en_US
dc.contributor.authorTan, Kuien_US
dc.contributor.authorNijem, Nouren_US
dc.contributor.authorGao, Yuzhien_US
dc.contributor.authorZuluaga, S.en_US
dc.contributor.authorLi, J.en_US
dc.contributor.authorThonhauser, T.en_US
dc.contributor.authorChabal, Yves J.en_US
dc.date.accessioned2015-02-19T17:37:23Z
dc.date.available2015-02-19T17:37:23Z
dc.date.created2014-10-07
dc.description.abstractMetal organic frameworks (MOFs) have a strong potential for gas adsorption and separation such as H2 and CH4 storage, and CO2 capture. However, their instability in the presence of water vapor (many MOFs are hygroscopic) is one of the key issues that limit their large-scale application. Previous studies of water adsorption in MOFs have mainly relied on isotherm measurements that provide useful parameters such as adsorption uptake and isosteric heat of adsorption. The structural stability of MOFs in water vapor was also evaluated by powder X-ray diffraction measurements (PXRD). However, more studies are required to unravel the water interaction or reaction mechanisms within MOFs, which would be beneficial for the development of more robust frameworks. This review highlight focuses on water adsorption in two representative MOFs: M(bdc)(ted)0.5 [M = Cu2+, Zn2+, Ni2+, Co2+; bdc = 1,4-benzenedicarboxylate; ted = triethylenediamine] with saturated metal centers and MOF-74 [M2(dobdc), M = Mg2+, Zn2+, Ni2+, Co2+ and dobdc = 2,5-dihydroxybenzenedicarboxylic acid] with unsaturated metal centers. It shows how vibrational spectroscopy combined with van der Waals density functional (vdW-DF) calculations makes it possible to elucidate the details of water reaction in MOFs. The results presented in this highlight suggest that the reactivity and initial decomposition pathway of MOFs in water vapor critically depend on their structure and the specific metal cation in the building units. Water interaction with a hydrophobic MOF, in this case FMOF-1, is also reviewed. This information provides a framework for understanding water interactions or reactions within different types of MOFs.en_US
dc.description.sponsorshipUS Department of Energy grant (DE-FG02-08ER46491).en_US
dc.identifier.bibliographicCitationTan, K., N. Nijem, Y. Gao, S. Zuluaga, et al. 2014. "Water interactions in metal organic frameworks." CrystEngComm 17(2): 247-260.
dc.identifier.issn1466-8033en_US
dc.identifier.issue2en_US
dc.identifier.urihttp://hdl.handle.net/10735.1/4330
dc.identifier.volume17en_US
dc.language.isoenen_US
dc.publisherRoyal Society of Chemistryen_US
dc.relation.urihttp://dx.doi.org/10.1039/c4ce01406een_US
dc.rights©2014 The Royal Society of Chemistry. This article may not be further made available or distributed.en_US
dc.source.journalCrystEngCommen_US
dc.subjectMetal organic frameworksen_US
dc.subjectDeuterium Oxideen_US
dc.subjectMoleculesen_US
dc.subjectWateren_US
dc.titleWater Interactions In Metal Organic Frameworksen_US
dc.type.genrearticleen_US

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