Database of Zeolite Structures
 
Framework Type AFN
31P MAS NMR spectrum of calcined AlPO-14


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
P3
T4
Q4(4Al)
-31.59
1.000
1.55
0.213
P2
T3
Q4(4Al)
-27.32
1.000
1.64
0.213
P4
T1
Q4(4Al)
-26.24
1.000
1.48
0.213
P1
T2
Q4(4Al)
-21.42
1.000
1.51
0.213


References
Spectrum

  Authors: Ashbrook, S.E., Cutajar, M., Pickard, C.J., Walton, R.I., Wimperis, S.
  Title: Structure and NMR assignment in calcined and as-synthesized forms of AlPO-14: A combined study by first-principles calculations and high-resolution 27Al-31P MAS NMR correlation
  Reference: PCCP, 10, 5754-5764 (2008)
  Figure: Figure 2d  

Peak Assignment

  Authors: Ashbrook, S.E., Cutajar, M., Pickard, C.J., Walton, R.I., Wimperis, S.
  Title: Structure and NMR assignment in calcined and as-synthesized forms of AlPO-14: A combined study by first-principles calculations and high-resolution 27Al-31P MAS NMR correlation
  Reference: PCCP, 10, 5754-5764 (2008)
  Method: 2D correlation NMR
  Figure: Figure 4  

Crystal Structure

  Authors: Broach, R.W., Wilson, S.T. and Kirchner, R.M.
  Title: The synthesis and structures of as-synthesized and calcined AlPO4-14, revealing a three-dimensional channel system with 8-ring pores
  Reference: Proc. 12th Int. Zeolite Conf., III, pp. 1715-1722 (1999)

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)
Spectrum information

  Obs. freq. 162 MHz (Field = 9.4 Tesla)
  Pulse sequence single pulse
  MAS frequency 10 kHz
  Spectrum Digitized and processed by Brouwer Lab, Redeemer University
  Data processing Spectrum digitized with WebPlotDigitizer and deconvoluted with Mathematica notebook
 
  CommentPeak assignments are based on a 2D 27Al/31P correlation spectrum.

Chemical Formula

  [Al - P - O]-AFN

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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