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dc.creatorMali, Gregor
dc.creatorRajić, Nevenka
dc.creatorZabukovec-Logar, Nataša
dc.creatorKaučič, Venčeslav
dc.date.accessioned2021-03-10T10:07:06Z
dc.date.available2021-03-10T10:07:06Z
dc.date.issued2003
dc.identifier.issn1520-6106
dc.identifier.urihttp://TechnoRep.tmf.bg.ac.rs/handle/123456789/533
dc.description.abstractShort-range order within a novel aluminophosphate-oxalate hybrid material with the unit cell formula CH2(NH3)CH(NH3)CH3Al4P6O20(OH)(4)(C2O4)H2O was studied by multinuclear solid-state NMR measurements. The C-13, Al-27, and P-31 MAS NMR spectra showed several resonance lines that could not be predicted by the single-crystal X-ray diffraction analysis. The underlying variety of carbon, aluminum, and phosphorus local environments was due to the nonuniform arrangement of the protonated 1,2-diaminopropane species and water molecules residing within the pores of the open-framework material. H-1-- gt C-13 CPMAS NNIR spectrum evidenced that the diaminopropane species either occupied two different positions or were present as two different isomers, which also gave rise to two slightly different deformations of one (P(3)O-4) of the three crystallographically distinct PO4 tetrahedra. One-dimensional H-1 and P-31 MAS and 2D H-1-- gt P-31 CPMAS spectra revealed that the water molecule, occupying a well-defined position within the pore with about 42% abundance, attracted H(2) from the hydroxyl group attached to the P(3) atom and involved the hydrogen atom into a strong hydrogen bond. The displacement of H(2) due to the interaction with the water molecule was determined by measuring H(2)-P(3) distances using H-1-- gt P-31 variable-contact-time CPMAS NMR experiments. As evidenced by Al-27 MAS and 3QMAS NMR spectra, the deformation of the P(3)O-4 tetrahedra by water and diaminopropane species further affected also local environments of the two proximal crystallographically inequivalent aluminum sites Al(1) and Al(2).en
dc.publisherAmer Chemical Soc, Washington
dc.rightsrestrictedAccess
dc.sourceJournal of Physical Chemistry B
dc.titleSolid-state NMR study of an open-framework aluminophosphate-oxalate hybriden
dc.typearticle
dc.rights.licenseARR
dc.citation.epage1292
dc.citation.issue6
dc.citation.other107(6): 1286-1292
dc.citation.rankM21
dc.citation.spage1286
dc.citation.volume107
dc.identifier.doi10.1021/jp026469t
dc.identifier.rcubconv_2295
dc.identifier.scopus2-s2.0-0037434682
dc.identifier.wos000182533600001
dc.type.versionpublishedVersion


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