Database of Zeolite Structures
 
Framework Type CHA
29Si MAS NMR spectrum of chabazite, as-synthesized, with OSDA (Si/Al=12.8)


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(0Al)
-109.20
67.70
3.00
0.740
B
Q4(1Al)
-103.60
19.00
3.50
0.000
C
Q4(2Al)
-98.30
12.80
5.10
0.000
D
Q4(3Al)
-91.80
0.60
2.60
0.000



References
Spectrum

  Authors: Akporiaye, D.E., Dahl, I.M., Mostad, H.B., Wendelbo, R.
  Title: Aluminum Distribution in Chabazite: An Experimental and Computational Study
  Reference: J. Phys. Chem., 100, 4148-4153 (1996)
  Figure: Figure 3d  
Spectrum information

  Obs. freq. 59.6 MHz (Field = 7 Tesla)
  Pulse sequence single pulse
  MAS frequency 4.5 kHz
  Spectrum processed by H. Koller, University of Münster
  Data processing Spectrum digitized with WebPlotDigitizer and deconvoluted with dmfit: D. Massiot et al., Magn. Reson. Chem., 40, 70-76 (2002)
 
  Si/Al ratio8.6 (derived from the simulation above)
  Commentdifference between Si/Al from chemical analysis and NMR may be due to framework defects (Q3 sites overlapping with Q4(1Al)) in as-made sample containing charged OSDA

Chemical Formula

  [Si32.25Al3.75O72]-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)