Database of Zeolite Structures
 
Framework Type MWW
29Si MAS NMR spectrum of calcined pure silica ITQ-1 (MCM-22)


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)
-120.39
4.07
1.20
0.708
B
Q4(0Al)
-116.58
3.91
1.06
0.822
C
Q4(0Al)
-113.95
3.92
0.98
0.717
E
Q4(0Al)
-112.70
1.47
0.90
0.362
F
Q4(0Al)
-111.97
1.00
0.59
0.362
G
Q4(0Al)
-111.36
3.14
0.98
0.362
H
Q4(0Al)
-106.03
3.12
0.88
0.607



References
Spectrum

  Authors: Camblor, M.A., Corma, A., Díaz-Cabañas, M.-J. and Baerlocher, Ch.
  Title: Synthesis and structural characterization of MWW type zeolite ITQ-1, the pure silica analog of MCM-22 and SSZ-25
  Reference: J. Phys. Chem. B, 102, 44-51 (1998
DOI: 10.1021/jp972319k)
  Figure: Figure 9a  

Crystal Structure

  Authors: Camblor, M.A., Corma, A., Díaz-Cabañas, M.-J. and Baerlocher, Ch.
  Title: Synthesis and structural characterization of MWW type zeolite ITQ-1, the pure silica analog of MCM-22 and SSZ-25
  Reference: J. Phys. Chem. B, 102, 44-51 (1998)
DOI: 10.1021/jp972319k

Digitization and Modeling of Spectrum

  To reference this collection of solid-state NMR spectra, we suggest:
  Authors: Brouwer, D.H., Brouwer, C.C., Mesa, S., Semelhago, C.A., Steckley, E.E., Sun, M.P.Y., Mikolajewski, J.G., and Baerlocher, Ch.
  Title: Solid-state 29Si NMR spectra of pure silica zeolites for the International Zeolite Association Database of Zeolite Structures
  Reference: Microporous Mesoporous Mat., 297, 110000 (2020)
DOI: 10.1016/j.micromeso.2020.110000
Spectrum information

  Obs. freq. 79.459 MHz (Field = 9.4 Tesla)
  Pulse sequence single pulse
  MAS frequency 5.5 kHz
  Spectrum Digitized and processed by Brouwer Lab, Redeemer University
  Data processing Spectrum digitized with WebPlotDigitizer and deconvoluted with Mathematica notebook
 
  CommentIt was not possible to satisfactorily fit the spectrum with a model containing the 8 Si sites expected from the crystal structure

Chemical Formula

  [Si72O144]-MWW

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)