Please use this identifier to cite or link to this item: http://hdl.handle.net/10773/19358
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dc.contributor.authorXu, Junpt
dc.contributor.authorLucier, Bryan E. G.pt
dc.contributor.authorLin, Zhipt
dc.contributor.authorSutrisno, Andrept
dc.contributor.authorTerskikh, Victor V.pt
dc.contributor.authorHuang, Yiningpt
dc.date.accessioned2017-12-07T19:10:00Z-
dc.date.issued2014pt
dc.identifier.issn1932-7447pt
dc.identifier.urihttp://hdl.handle.net/10773/19358-
dc.description.abstractSeven prototypical microporous titanosilicates have been studied by multinuclear solid-state NMR (SSNMR) spectroscopy, representing four typical Ti environments: square-pyramidal TiO5 units (natisite, AM-1, ETS-4), edge-shared brookite-type TiO6 chains (AM-4), cubane-type Ti4O16 clusters (sitinakite, GTS-1), and corner-shared TiO6 chains (ETS-10, ETS-4). Ti-47/49 SSNMR spectra at 21.1 T are related to the coordination, crystal symmetry, and local environment of Ti. Distortions in TiO bond lengths and OTiO coordination angles are reflected via C-Q(Ti-47/49) values that range from 8 to 16 MHz. Several titanosilicates feature axially symmetric Ti-47/49 electric field gradient (EFG) tensors that permit facile spectral assignment and detection of deviations in local symmetry. This study uses Si-29 NMR experiments to assess phase purity and crystallinity. Na-23 NMR is used to probe the location and mobility of the sodium ions in the framework. The potential of K-39 SSNMR for investigation of extra-framework counter cations is demonstrated by ETS-10, with increased spectral resolution and enhanced sensitivity to changes in local environment versus Na-23 experiments. Plane-wave DFT calculations predicted Ti-47/49 NMR parameters assisting in spectral assignments and help correlate Na-23 and Si-29 NMR resonances to crystallographic sites. The approach described in this work should promote further SSNMR investigations of microporous solids, such as titanosilicates, with unknown or poorly defined structures.pt
dc.language.isoengpt
dc.publisherAMER CHEMICAL SOCpt
dc.relationinfo:eu-repo/grantAgreement/FCT/COMPETE/132936/PTpt
dc.rightsrestrictedAccesspor
dc.subjectMETAL-ORGANIC FRAMEWORKSpt
dc.subjectSODIUM TITANIUM SILICATEpt
dc.subjectION-EXCHANGE PROPERTIESpt
dc.subjectMAS NMRpt
dc.subjectCRYSTAL-STRUCTUREpt
dc.subjectLOCAL-STRUCTUREpt
dc.subjectCHEMICAL-SHIFTpt
dc.subjectPOROUS TITANOSILICATEpt
dc.subjectAQUEOUS-SOLUTIONSpt
dc.subjectADIABATIC PULSESpt
dc.titleNew Insights into the Short-Range Structures of Microporous Titanosilicates As Revealed by Ti-47/49, Na-23, K-39, and Si-29 Solid-State NMR Spectroscopypt
dc.typearticlept
dc.peerreviewedyespt
ua.distributioninternationalpt
degois.publication.firstPage27353pt
degois.publication.issue47pt
degois.publication.lastPage27365pt
degois.publication.titleJOURNAL OF PHYSICAL CHEMISTRY Cpt
degois.publication.volume118pt
dc.date.embargo10000-01-01-
dc.relation.publisherversion10.1021/jp5077966pt
dc.identifier.doi10.1021/jp5077966pt
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