Database of Zeolite Structures
 
Framework Type DDR
29Si MAS NMR spectrum of calcined pure silica Decadodecasil 3R zeolite


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
Si6
T6
Q4(0Al)
-122.62
1.000
0.50
0.838
Si3
T3
Q4(0Al)
-121.25
3.000
0.48
0.838
Si4
T4
Q4(0Al)
-119.15
3.000
0.60
0.838
Si2
T2
Q4(0Al)
-113.59
3.000
0.35
0.838
Si1a
T1
Q4(0Al)
-113.47
3.000
0.35
0.838
Si5
T5
Q4(0Al)
-113.31
3.000
0.35
0.838
Si1b
T1
Q4(0Al)
-112.71
3.000
0.63
0.838
Si7
T7
Q4(0Al)
-112.07
1.000
0.63
0.838


References
Spectrum

  Authors: Fyfe, C., Gies, H., Feng, Y., Grondey, H.
  Title: Two-dimensional 29Si MAS n.m.r. investigation of the three-dimensional structure of zeolite DD3R
  Reference: Zeolites, 10, 278-282 (1990)
  Figure: Figure 2a  

Peak Assignment

  Authors: Fyfe, C., Gies, H., Feng, Y., Grondey, H.
  Title: Two-dimensional 29Si MAS n.m.r. investigation of the three-dimensional structure of zeolite DD3R
  Reference: Zeolites, 10, 278-282 (1990)
  Method: 2D correlation NMR
  Figure: Figure 4  

Crystal Structure

  Authors: Gies, H.
  Title: Studies on clathrasils. IX. Crystal structure of deca-dodecasil 3R, the missing link between zeolites and clathrasils
  Reference: Z. Kristallogr., 175, 93-104 (1986)

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. 79.49 MHz (Field = INF 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]-DDR

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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