Database of Zeolite Structures
 
Framework Type SGT
29Si CP MAS NMR spectrum of pure silica as-made Sigma-2 (with 1-aminoadamantane)


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
T4
Q4(0Al)
-119.96
1.000
0.50
1.000
Si1
T1
Q4(0Al)
-116.04
1.000
0.39
1.000
Si2
T3
Q4(0Al)
-113.90
1.000
0.50
1.000
Si4
T2
Q4(0Al)
-108.82
1.000
0.47
1.000


References
Spectrum

  Authors: Brouwer, D.H., Kristiansen, P.E., Fyfe, C.A., Levitt, M.H.
  Title: Symmetry-based 29Si dipolar recoupling magic angle spinning NMR spectroscopy: A new method for investigating three-dimensional structures of zeolite frameworks
  Reference: J. Am. Chem. Soc., 127, 542-543 (2005)
  Figure: Figure 1b  

Peak Assignment

  Authors: Brouwer, D.H., Kristiansen, P.E., Fyfe, C.A., Levitt, M.H.
  Title: Symmetry-based 29Si dipolar recoupling magic angle spinning NMR spectroscopy: A new method for investigating three-dimensional structures of zeolite frameworks
  Reference: J. Am. Chem. Soc., 127, 542-543 (2005)
  Method: 2D correlation NMR
  Figure: Figure 3a  

Crystal Structure

  Authors: Brouwer, D.H., Enright, G.D.
  Title: Probing Local Structure in Zeolite Frameworks: Ultrahigh-Field NMR Measurements and Accurate First-Principles Calculations of Zeolite 29Si Magnetic Shielding Tensors
  Reference: J. Am. Chem. Soc., 130, 3095-3105 (2008)

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. 59.56 MHz (Field = 7 Tesla)
  Pulse sequence cross polarization
  MAS frequency 4 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]-SGT

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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