Database of Zeolite Structures
 
Framework Type AFI
31P MAS NMR spectrum of calcined and hydrated AlPO-5


Note: Toggle plots by clicking on the legend

Peak
Q-type
Chemical Shift
Relative
Peak Width
Peak Shape
Label
(ppm)
Peak Area
(ppm)
(x)L (1-x)G
A
4tet0oct
-30.00
14.800
7.92
0.000
B
3tet1oct
-25.95
36.200
7.92
0.000
C
2tet2oct
-21.59
33.300
7.92
0.000
D
1tet3oct
-15.14
13.600
7.92
0.000
E
0tet4oct
-8.31
2.100
7.92
0.000


References
Spectrum

  Authors: Meinhold, R.H., Tapp, N.J.
  Title: An NMR study of the reaction of water with AlPO4-5
  Reference: J. Chem. Soc., Chem. Commun., , 219-220 (1990)
  Figure: Figure 1  

Peak Assignment

  Authors: Fyfe, C.A., Wong-Moon, K.C., Huang, Y.
  Title: 27Al/31P solid-state n.m.r. structural investigations of AlPO4-5 molecular sieve
  Reference: Zeolites, 16, 50-55 (1996)
  Method: statistical distibution of water bound to neighboring Al sites
  Figure: Table 1  

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. 80.96 MHz (Field = 4.7 Tesla)
  Pulse sequence single pulse
  MAS frequency 5 kHz
  Spectrum Digitized and processed by Brouwer Lab, Redeemer University
  Data processing Spectrum digitized with WebPlotDigitizer and deconvoluted with Mathematica notebook
 
  CommentPeak areas are derived from random distibrution of Al sites to which water binds based on 27Al NMR which indicates 62% of Al sites are tetrahedral and 38% are octahedral. The Q-type column here indicates how many neighboring Al atoms are tetrahedral (tet) and how many are octahedral (oct).

Chemical Formula

  [Al - P - O]-AFI

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)

Copyright © 2017 Structure Commission of the International Zeolite Association (IZA-SC)