Database of Zeolite Structures
 
Framework Type DOH
29Si MAS NMR spectrum of calcined pure silica Dodecasil-1H


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
Si3
T3
Q4(0Al)
-120.45
3.000
0.40
1.000
Si1/Si2
T1/T2
Q4(0Al)
-117.53
6.000
0.37
1.000
Si4
T4
Q4(0Al)
-116.58
2.000
0.47
1.000
Si2/Si1
T2/T1
Q4(0Al)
-115.36
6.000
0.47
1.000


References
Spectrum

  Authors: Groenen, E.J., Alma, N.C., Dorrepaal, J., Hays, G.R., Kortbeek, A.G.
  Title: Solid-state 29Si n.m.r. spectroscopy of clathrasils; the relationship between the chemical shift and the structure of silicates
  Reference: Zeolites, 5, 361-363 (1985)
  Figure: Figure 1b  

Peak Assignment

  Authors: Groenen, E.J., Alma, N.C., Dorrepaal, J., Hays, G.R., Kortbeek, A.G.
  Title: Solid-state 29Si n.m.r. spectroscopy of clathrasils; the relationship between the chemical shift and the structure of silicates
  Reference: Zeolites, 5, 361-363 (1985)
  Method: relative intensities
  Figure: Figure 2  

Crystal Structure

  Authors: Gerke, H. and Gies, H.
  Title: Studies on clathrasils. IV. Crystal structure of dodecasil 1H, a synthetic clathrate compound of silica
  Reference: Z. Kristallogr., 166, 11-22 (1984)

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. not given
  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]-DOH

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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