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A multinuclear solid-state NMR study of templated and calcined chabazite-type GaPO-34
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Amri, Mahrez, Ashbrook, Sharon E., Dawson, Daniel M., Griffin, John M., Walton, Richard I. and Wimperis, Stephen (2012) A multinuclear solid-state NMR study of templated and calcined chabazite-type GaPO-34. The Journal of Physical Chemistry Part C: Nanomaterials, Interfaces and Hard Matter, Volume 116 (Number 28). pp. 15048-15057. doi:10.1021/jp304868w
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Official URL: http://dx.doi.org/10.1021/jp304868w
Abstract
The open-framework gallophosphate GaPO-34 is prepared with either 1-methylimidazole or pyridine as the structure-directing agent. 13C and 1H NMR spectra for these two variants of the as-made GaPO-34 are fully assigned, confirming the presence of the protonated amine and water within the pores of both materials. 31P MAS NMR confirms the presence of three crystallographic P sites, while 71Ga MAS and MQMAS NMR spectra reveal three crystallographic Ga sites: two tetrahedral and one six-coordinate. Simulations of 69Ga MAS NMR spectra from these results are in good agreement with spectra acquired at B0 = 20.0 T, and assignments are supported by first-principles calculations. 19F MAS NMR proves the presence of Ga-bridging fluoride within the as-made materials, leading to the six-coordinate gallium. Calcination removes the organic species and fluoride, yielding a microporous chabazite-type GaPO4, containing one tetrahedral Ga site. Exposure to moist air yields calcined, rehydrated GaPO-34 containing four-, five-, and six-coordinate gallium. Upon heating this material, loss of crystallinity is observed by powder X-ray diffraction and NMR, with the latter revealing a range of P and Ga environments. The thermal instability of calcined, rehydrated GaPO-34 contrasts with the isomorphous aluminophosphate, showing that apparently analogous materials may have important differences in reactivity.
| Item Type: | Journal Article | ||||
|---|---|---|---|---|---|
| Divisions: | Faculty of Science > Chemistry | ||||
| Journal or Publication Title: | The Journal of Physical Chemistry Part C: Nanomaterials, Interfaces and Hard Matter | ||||
| Publisher: | American Chemical Society | ||||
| ISSN: | 1932-7447 | ||||
| Official Date: | 19 July 2012 | ||||
| Dates: |
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| Volume: | Volume 116 | ||||
| Number: | Number 28 | ||||
| Page Range: | pp. 15048-15057 | ||||
| DOI: | 10.1021/jp304868w | ||||
| Status: | Peer Reviewed | ||||
| Publication Status: | Published | ||||
| Access rights to Published version: | Restricted or Subscription Access | ||||
| Funder: | Engineering and Physical Sciences Research Council (EPSRC), Leverhulme Trust | ||||
| Grant number: | EP/C156591, EP/E041825/1 (EPSRC); F/00/268/BJ (Leverhulme Trust); |
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