Database of Zeolite Structures
 
Framework Type CHA
31P MAS NMR spectrum of calcined and fully dehydrated AlPO-34 at 533 K


Note: Toggle plots by clicking on the legend

Peak
T site
Q-type
Chemical Shift
Relative
Peak Width
Peak Shape
Assigment
(topological)
(ppm)
Peak Area
(ppm)
(x)L (1-x)G
P1
T1
Q4(4Al)
-28.72
1.000
1.45
0.197


References
Spectrum

  Authors: Varlec, J., Krajnc, A., Mazaj, M., Ristic, A., Vanatalu, K., Oss, A., Samoson, A., Kaucic, V., Mali, G.
  Title: Dehydration of AlPO4-34 studied by variable-temperature NMR, XRD and first-principles calculations
  Reference: New J. Chem., 40, 4178-4186 (2016)
DOI: 10.1039/c5nj02838h
  Figure: Figure 3a  

Peak Assignment

  Authors: Varlec, J., Krajnc, A., Mazaj, M., Ristic, A., Vanatalu, K., Oss, A., Samoson, A., Kaucic, V., Mali, G.
  Title: Dehydration of AlPO4-34 studied by variable-temperature NMR, XRD and first-principles calculations
  Reference: New J. Chem., 40, 4178-4186 (2016)
DOI: 10.1039/c5nj02838h
  Method: single peak
  Figure: Figure 3a  

Crystal Structure

  Authors: Amri, M., Walton, R.I.
  Title: Negative thermal expansion in the aluminum and gallium phosphate zeotypes with CHA and AEI structure types
  Reference: Chem. Mater., 21, 3380-3390 (2009)
DOI: 10.1021/cm901140u

Digitization and Modeling of Spectrum

  To reference this collection of solid-state NMR spectra, we suggest:
  Authors: Brouwer, D.H. and White, A.L.
  Title: A comprehensive collection of solid-state 31P NMR spectra of aluminophosphate zeolites.
  Reference: Microporous Mesoporous Mat., 337, 111934 (2022)
DOI: 10.1016/j.micromeso.2022.111934
Spectrum information

  Obs. freq. 242.7 MHz (Field = 14.1 Tesla)
  Pulse sequence single pulse
  MAS frequency 8 kHz
  Spectrum Digitized and processed by Brouwer Lab, Redeemer University
  Data processing Spectrum digitized with WebPlotDigitizer and deconvoluted with Mathematica notebook
 
  CommentThe closest temperature at which the crystal structure was determined by Amri and Walton is 460K

Chemical Formula

  [Al - P - O]-CHA

Downloads

  Download digitized spectrum in JCAMP-DX format
(This file includes also the data listed on this page)
  Download all lines from the above plot in .csv format
(This file contains only the plotted data)

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