Database of Zeolite Structures
 
Framework Type AFR
31P MAS NMR spectrum of as-made AlPO-40 (with tetrapropylammonium and tetramethylammonium templates)


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
Q4(4Al)
-30.23
1.000
0.67
0.879
B
Q4(4Al)
-29.75
1.000
0.67
0.879
D
Q4(4Al)
-28.98
1.000
0.67
0.879
C
Q4(4Al)
-28.83
1.000
0.67
0.879
E
Q4(4Al)
-28.71
1.000
0.67
0.879
F
Q4(4Al)
-28.61
1.000
0.67
0.879
G
Q4(4Al)
-28.51
1.000
0.67
0.879
H
Q4(4Al)
-28.49
1.000
0.67
0.879
I
Q4(4Al)
-27.32
1.000
0.67
0.879
J
Q4(4Al)
-26.86
1.000
0.67
0.879
K
Q4(4Al)
-26.79
1.000
0.67
0.879
L
Q4(4Al)
-26.54
1.000
0.67
0.879
M
Q4(4Al)
-25.32
1.000
0.67
0.879
N
Q4(4Al)
-25.16
1.000
0.67
0.879
O
Q4(4Al)
-25.08
1.000
0.67
0.879
P
Q4(4Al)
-24.89
1.000
0.67
0.879
Q
Q4(4Al)
-22.89
1.000
0.67
0.879
R
Q4(4Al)
-22.67
1.000
0.67
0.879
S
Q4(4Al)
-21.58
1.000
0.67
0.879
T
Q4(4Al)
-21.29
1.000
0.67
0.879
U
Q4(4Al)
-21.01
1.000
0.67
0.879
V
Q4(4Al)
-20.50
1.000
0.67
0.879
W
Q4(4Al)
-19.03
1.000
0.67
0.879
X
Q4(4Al)
-18.44
1.000
0.67
0.879
Y
Q4(4Al)
-18.09
1.000
0.67
0.879
Z
Q4(4Al)
-17.35
1.000
0.67
0.879
AA
Q4(4Al)
-16.45
1.000
0.67
0.879
AB
Q4(4Al)
-15.66
1.000
0.67
0.879
AC
Q4(4Al)
-15.56
1.000
0.67
0.879
AD
Q4(4Al)
-14.74
1.000
0.67
0.879
AE
Q4(4Al)
-14.59
1.000
0.67
0.879
AF
Q4(4Al)
-13.98
1.000
0.67
0.879



References
Spectrum

  Authors: Morais, C.M., Montouillout, V., Deschamps, M., Iuga, D., Fayon, F., Paz, F.A.A., Rocha, J., Fernandez, C., Massiot, D.
  Title: 1D to 3D NMR study of microporous alumino-phosphate AlPO4-40
  Reference: Magn. Reson. Chem., 47, 942-947 (2009)
DOI: 10.1002/mrc.2492
  Figure: Figure 1a  

Crystal Structure

  Authors: Ramaswamy, V., McCusker, L.B. and Baerlocher, Ch.
  Title: Rietveld refinement of the pure aluminophosphate AlPO4-40
  Reference: Microporous Mesoporous Mat., 31, 1-8 (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)
DOI: 10.1016/j.micromeso.2022.111934
Spectrum information

  Obs. freq. 303.6 MHz (Field = 17.6 Tesla)
  Pulse sequence single pulse
  MAS frequency 14 kHz
  Spectrum Digitized and processed by Brouwer Lab, Redeemer University
  Data processing Spectrum digitized with WebPlotDigitizer and deconvoluted with Mathematica notebook
 
  CommentThere are 4x as many peaks in the 31P NMR spectrum as there are P sites in the crystal structure! Spectrum was acquired with simultaneous 1H and 27Al decoupling.

Chemical Formula

  [Al - P - O]-AFR

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)