Database of Zeolite Structures
 
Framework Type TON
29Si MAS NMR spectrum of calcined dealuminated Theta-1 (KZ-2, ZSM-22)


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
Si4
T2
Q4(0Al)
-114.44
2.000
0.32
1.000
Si2
T4
Q4(0Al)
-113.17
1.000
0.32
1.000
Si1
T3
Q4(0Al)
-112.88
1.000
0.28
1.000
Si3
T1
Q4(0Al)
-110.91
2.000
0.39
1.000


References
Spectrum

  Authors: Fyfe, C.A., Strobl, H., Kokotailo, G.T., Pasztor, C.T., Barlow, G.E., Bradley, S.
  Title: Correlations between lattice structures of zeolites and their 29Si MAS n.m.r. spectra: zeolites KZ-2, ZSM-12, and Beta
  Reference: Zeolites, 8, 132-136 (1988)
DOI: 10.1016/S0144-2449(88)80079-4
  Figure: Figure 5a  

Peak Assignment

  Authors: Fyfe, C.A., Feng, Y., Gies, H., Grondey, H., Kokotailo, G.T.
  Title: Natural-Abundance Two-Dimensional Solid-State 29Si NMR Investigations of Three-Dimensional Lattice Connectivities in Zeolite Structures
  Reference: J. Am. Chem. Soc., 112, 3264-3270 (1990)
DOI: 10.1021/ja00165a002
  Method: 2D correlation NMR
  Figure: Figure 7a  

Crystal Structure

  Authors: Marler, B.
  Title: Silica-ZSM-22: synthesis and single crystal structure refinement
  Reference: Zeolites, 7, 393-397 (1987)

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. 79.5 MHz (Field = 9.4 Tesla)
  Pulse sequence single pulse
  Spectrum Digitized and processed by Brouwer Lab, Redeemer University
  Data processing Spectrum digitized with WebPlotDigitizer and deconvoluted with Mathematica notebook
 

Chemical Formula

  [Si - O]-TON

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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