Identification of nonequivalent framework oxygen species in metal-organic frameworks by 17O solid-state NMR

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DOIResolve DOI: http://doi.org/10.1021/jp403512m
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TypeArticle
Journal titleThe Journal of Physical Chemistry C
ISSN1932-7447
Volume117
Issue33
Pages1695316960; # of pages: 8
SubjectCurrent performance; Isotopic enrichment; Metal organic framework; Metalorganic frameworks (MOFs); Nano-porous materials; Spectral signature; Structural characterization; Synthetic approach; Crystalline materials; Isotopes; Java programming language; Nuclear magnetic resonance spectroscopy; Porous materials; Solid state physics; Oxygen
AbstractMetal-organic frameworks (MOFs) are a class of novel nanoporous materials with many potential applications. Structural characterization is important because understanding the relationship between the properties of these industrially relevant materials and their structures allows one to develop new applications and improve current performance. Oxygen is one of the most important elements in many MOFs and exists in various forms. Ideally, 17O solid-state NMR (SSNMR) should be an excellent tool for characterizing various oxygen species. However, the major obstacles that prevent applying 17O SSNMR to MOF characterization are the synthetic effort needed for 17O isotopic enrichment and the associated high cost. In this work, we successfully prepared several prototypical 17O-enriched MOFs, including Zr-UiO-66, MIL-53(Al), CPO-27-Mg (or Mg-MOF-74), and microporous α-Mg3(HCOO)6. Depending on the target MOF, different isotopic enrichment methods were used to effectively incorporate 17O from 17O-enriched H2O. Using these 17O-enriched MOFs, we were able to acquire 17O SSNMR spectra at a magnetic field of 21.1 T. They provide distinct spectral signatures of various key oxygen species commonly seen in representative MOFs. We demonstrate that 17O SSNMR can be used to differentiate chemically and, under favorite circumstances, crystallographically nonequivalent oxygens and to follow the phase transitions. The synthetic approaches for preparation of 17O-enriched sample described in this paper are fairly simple and cost-effective.
Publication date
LanguageEnglish
AffiliationMeasurement Science and Standards; National Research Council Canada
Peer reviewedYes
NPARC number21270508
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Record identifier85b7973f-7678-41f5-b9e9-1e6530701131
Record created2014-02-14
Record modified2017-03-23
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