Database of Zeolite Structures
 
Framework Type IFR
29Si MAS NMR spectrum of pure silica calcined ITQ-4


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
Si2
T2
Q4(0Al)
-112.46
1.000
0.28
1.000
Si1
T3
Q4(0Al)
-110.81
1.000
0.59
1.000
Si3
T4
Q4(0Al)
-109.68
1.000
0.49
1.000
Si4
T1
Q4(0Al)
-107.94
1.000
0.49
1.000


References
Spectrum

  Authors: Camblor, M.A., Corma, A., Villaescusa, L.A.
  Title: ITQ-4: a new large pore microporous polymorph of silica
  Reference: Chem. Commun., , 749-750 (1997)
  Figure: Figure 2a  

Peak Assignment

  Authors: Brouwer, D.H., Darton, R.J., Morris, R.E., Levitt, M.H.
  Title: A solid-state NMR method for solution of zeolite crystal structures
  Reference: J. Am. Chem. Soc., 127, 10365-10370 (2005)
  Method: 2D correlation NMR
  Figure: Figure 3  

Crystal Structure

  Authors: Villaescusa, L.A., Lightfoot, P., Teat, S.J., Morris, R.E.
  Title: Variable-temperature microcrystal X-ray diffraction studies of negative thermal expansion in the pure silica zeolite IFR
  Reference: J. Am. Chem. Soc., 123, 5453-5459 (2001)

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)
Spectrum information

  Obs. freq. 79.4586 MHz (Field = 9.4 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
 

Chemical Formula

  [Si - O]-IFR

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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