Database of Zeolite Structures
 
Framework Type AST
29Si MAS NMR spectrum of as-made octadecasil (quinuclidinium fluoride)


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
Si2
T2
Q4(0Al)
-111.57
1.000
0.69
0.847
Si1
T1
Q4(0Al)
-107.70
4.000
0.49
0.847


References
Spectrum

  Authors: Fyfe, C.A., Lewis, A.R., Chezeau, J.M., Grondey, H.
  Title: 19F/29Si Distance Determinations in Fluoride-Containing Octadecasil from Solid-State NMR Measurements
  Reference: J. Am. Chem. Soc., 119, 12210-12222 (1997)
DOI: 10.1021/ja9701873
  Figure: Figure 2b  

Peak Assignment

  Authors: Fyfe, C.A., Lewis, A.R., Chezeau, J.M., Grondey, H.
  Title: 19F/29Si Distance Determinations in Fluoride-Containing Octadecasil from Solid-State NMR Measurements
  Reference: J. Am. Chem. Soc., 119, 12210-12222 (1997)
DOI: 10.1021/ja9701873
  Method: relative intensities
  Figure: Figure 2b  

Crystal Structure

  Authors: Caullet, P., Guth, J.L., Hazm, J., Lamblin, J.M. and Gies, H.
  Title: Synthesis, Characterization and Crystal Structure of the New Clathrasil Phase Octadecasil
  Reference: Eur. J. Solid State Inorg. Chem., 28, 345-361 (1991)

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. 79.495 MHz (Field = 9.4 Tesla)
  Pulse sequence single pulse
  MAS frequency 2.2 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]-AST

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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