MetalOrganicFrameworksApplicationsfromCataly

EditedbyDavidFarrussengMetal-OrganicFrameworksRelatedTitlesTremel,W.,zurLoye,H.(eds.)HandbookofSolidStateChemistryHardcoverISBN:978-3-527-32587-0Schubert,U.,Hüsing,N.SynthesisofInorganicMaterialsSoftcoverISBN:978-3-527-32714-0MacGillivray,L.Metal-OrganicFrameworksDesignandApplicationHardcoverISBN:978-0-470-19556-7Stolten,D.(ed.)HydrogenandFuelCellsFundamentals,TechnologiesandApplications2010HardcoverISBN:978-3-527-32711-9Hirscher,M.(ed.)HandbookofHydrogenStorageNewMaterialsforFutureEnergyStorage2010HardcoverISBN:978-3-527-32273-2Züttel,A.,Borgschulte,A.,Schlapbach,L.(eds.)HydrogenasaFutureEnergyCarrier2008HardcoverISBN:978-3-527-30817-0Öchsner,A.,Murch,G.E.,deLemos,M.J.S.(eds.)CellularandPorousMaterialsThermalPropertiesSimulationandPrediction2008HardcoverISBN:978-3-527-31938-1EditedbyDavidFarrussengMetal-OrganicFrameworksApplicationsfromCatalysistoGasStorageTheEditorDr.DavidFarrussengUniversityLyon1,CNRSIRCELYON2,Av.AlbertEinstein69626VilleurbanneFranceCoverThestructuresonthefrontcoversarebasedonmaterialsuppliedbytheeditorDavidFarrussengandimagesfromchapter1(authoredbySatoshiHorikeandSusumuKitagawa).AllbookspublishedbyWiley-VCHarecarefullyproduced.Nevertheless,authors,editors,andpublisherdonotwarranttheinformationcontainedinthesebooks,includingthisbook,tobefreeoferrors.Readersareadvisedtokeepinmindthatstatements,data,illustrations,proceduraldetailsorotheritemsmayinadvertentlybeinaccurate.LibraryofCongressCardNo.:appliedforBritishLibraryCataloguing-in-PublicationDataAcataloguerecordforthisbookisavailablefromtheBritishLibrary.BibliographicinformationpublishedbytheDeutscheNationalbibliothekTheDeutscheNationalbibliothekliststhispublicationintheDeutscheNationalbibliografie;detailedbibliographicdataareavailableontheInternetat(includingthoseoftranslationintootherlanguages).Nopartofthisbookmaybereproducedinanyform–byphotoprinting,microfilm,oranyothermeans–nortransmittedortranslatedintoamachinelanguagewithoutwrittenpermissionfromthepublishers.Registerednames,trademarks,etc.usedinthisbook,evenwhennotspecificallymarkedassuch,arenottobeconsideredunprotectedbylaw.CoverDesignGrafik-DesignSchulz,FußgönheimTypesettingThomsonDigital,Noida,IndiaPrintingandBookbindingFabulousPrintersPteLtd,SingaporePrintedinSingaporePrintedonacid-freepaperPrintISBN:978-3-527-32870-3ePDFISBN:978-3-527-63587-0ePubISBN:978-3-527-63586-3MobiISBN:978-3-527-63588-7oBookISBN:978-3-527-63585-6ContentsPrefaceXVListofContributorsXIXPartOneDesignofMultifunctionalPorousMOFs11DesignofPorousCoordinationPolymers/Metal–OrganicFrameworks:Past,PresentandFuture3SatoshiHorikeandSusumuKitagawa1.1Introduction31.2BackgroundandOngoingChemistryofPorousCoordinationPolymers31.2.1FrameworkswithHighSurfaceArea51.2.2LewisAcidicFrameworks61.2.3SoftPorousCrystals81.3MultifunctionalFrameworks101.3.1PorosityandMagnetism101.3.2PorosityandConductivity/Dielectricity121.3.3PorousFlexibilityandCatalysis121.4PreparationofMultifunctionalFrameworks131.4.1MixedLigandsandMixedMetals131.4.2Core–Shell161.4.3PCPsandNanoparticles171.5Perspectives18References192DesignofFunctionalMetal–OrganicFrameworksbyPost-SyntheticModification23DavidFarrusseng,JérômeCanivet,andAlessandraQuadrelli2.1BuildingaMOFsToolboxbyPost-SyntheticModification232.1.1TakingAdvantageofImmobilizationinaPorousSolid232.1.2UniqueReactivityofMOFs242.2Post-FunctionalizationofMOFsbyHost–GuestInteractions26V2.2.1GuestAbsorption262.2.2NanoparticleEncapsulation272.3Post-FunctionalizationofMOFsBasedonCoordinationChemistry282.3.1CoordinationtoUnsaturatedMetalCenters282.3.2CoordinationtoOrganicLinkers302.4Post-FunctionalizationofMOFsbyCovalentBonds312.4.1ChemicalModificationbyAmideCoupling322.4.2ChemicalModificationbyImineCondensation332.4.3ChemicalModificationbyClickChemistry342.4.4ReactivityofBridgingHydroxylGroups382.5TandemPost-ModificationfortheImmobilizationofOrganometallicCatalysts392.6CriticalAssessment412.6.1SyntheticRestrictions432.6.2BalanceBetweenFunctionalizationRateandMaterialEfficacy432.6.3CharacterizationoftheFunctionalizedMaterials442.7Conclusion45References45PartTwoGasStorageandSeparationApplications493ThermodynamicMethodsforPredictionofGasSeparationinFlexibleFrameworks51François-XavierCoudert3.1Introduction513.1.1GasSeparationinMetal–OrganicFrameworks513.1.2DynamicMaterialsintheMOFFamily523.1.3PossibleApplicationsofFlexibleMOFs543.1.4NeedforTheoreticalMethodsDescribingAdsorptionandFrameworkFlexibility553.2TheoreticalBackground563.2.1TheOsmoticEnsemble563.2.2ClassicalUsesoftheOsmoticEnsembleinMolecularSimulation573.3MolecularSimulationMethods583.3.1DirectMolecularSimulationofAdsorptioninFlexiblePorousSolids583.3.2UseoftheRestrictedOsmoticEnsemble603.4AnalyticalMethodsBasedonExperimentalData623.4.1AnalyticalMethodsforAdsorption.TaxonomyofGuest-InducedFlexibility623.4.2ApplicationtoCoadsorption:SelectivityPredictionsandPressure–CompositionPhaseDiagrams63VIContents3.5Outlook66References674SeparationandPurificationofGasesbyMOFs69Eli