Database of Zeolite Structures
 
Framework Type MTN
29Si CP MAS NMR spectrum of as-made pure silica Dodecasil-3C (with THF and xenon)


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
Si1/Si2/Si3
T1
Q4(0Al)
-121.64
4.000
0.65
0.581
Si1/Si2/Si3
T1
Q4(0Al)
-120.17
4.000
0.60
0.581
Si1/Si2/Si3
T1
Q4(0Al)
-119.31
4.000
0.53
0.581
Si4
T2
Q4(0Al)
-116.36
4.000
0.85
0.581
Si5
T3
Q4(0Al)
-111.08
1.000
1.21
0.581


References
Spectrum

  Authors: Ripmeester, J.A., Desando, M.A., Handa, Y.P., Tse, J.S.
  Title: Thermally induced phase transitions in the clathrasil dodecasil-3C (zeolite ZSM-39)
  Reference: J. Chem. Soc., Chem. Commun., 0, 608-610 (1988)
  Figure: Figure 2  

Peak Assignment

  Authors: Fyfe, C.A., Gies, H., Feng, Y.
  Title: Three-Dimensional Lattice Connectivities from Two-Dimensional High-Resolution Solid-State NMR. 29Si MAS NMR Investigation of the Silicate Lattice of Zeolite ZSM-39 (Dodecasil 3C)
  Reference: J. Am. Chem. Soc., 111, 7702-7707 (1989)
  Method: relative intensities, 2D correlation NMR
  Figure: Figure 5  

Crystal Structure

  Authors: Knorr, K. and Depmeier, W.
  Title: Room-temperature structure and geometrical analysis of the cubic-tetragonal phase transition in Dodecasil 3C-THF
  Reference: Acta Crystallogr., B53, 18-24 (1997)

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. 35.8 MHz (Field = 4.2 Tesla)
  Pulse sequence cross polarization
  Spectrum Digitized and processed by Brouwer Lab, Redeemer University
  Data processing Spectrum digitized with WebPlotDigitizer and deconvoluted with Mathematica notebook
 

Chemical Formula

  [Si - O]-MTN

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)

Copyright © 2017 Structure Commission of the International Zeolite Association (IZA-SC)