Database of Zeolite Structures
 
Framework Type MFI
29Si MAS NMR spectrum of calcined dealuminated ZSM-5 at 393K (high temperature orthorhombic)


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
Si8
T8
Q4(0Al)
-117.07
1.000
0.28
0.524
Si4
T4
Q4(0Al)
-116.61
1.000
0.26
0.524
Si2
T2
Q4(0Al)
-115.85
1.000
0.16
0.524
Si11
T11
Q4(0Al)
-115.71
1.000
0.16
0.524
Si3
T3
Q4(0Al)
-115.69
1.000
0.16
0.524
Si5
T5
Q4(0Al)
-114.14
1.000
0.13
0.524
Si6
T6
Q4(0Al)
-114.00
1.000
0.13
0.524
Si12
T12
Q4(0Al)
-114.00
1.000
0.13
0.524
Si1
T1
Q4(0Al)
-113.34
1.000
0.13
0.524
Si7
T7
Q4(0Al)
-113.17
1.000
0.13
0.524
Si10
T10
Q4(0Al)
-112.44
1.000
0.17
0.524
Si9
T9
Q4(0Al)
-112.16
1.000
0.16
0.524


References
Spectrum

  Authors: Fyfe, C.A., Strobl, H., Kokotailo, G.T., Kennedy, G.J., Barlow, G.E.
  Title: Ultra-high-resolution 29Si solid-state MAS NMR investigation of sorbate and temperature-induced changes in the lattice structure of zeolite ZSM-5
  Reference: J. Am. Chem. Soc., 110, 3373-3380 (1988)
  Figure: Figure 3a  

Peak Assignment

  Authors: Fyfe, C.A., Grondey, H., Feng, Y. and Kokotailo, G.T.
  Title: Natural-abundance two-dimensional 29Si MAS NMR investigation of the three-dimensional bonding connectivities in the zeolite catalyst ZSM-5
  Reference: J. Am. Chem. Soc., 112, 8812-8820 (1990)
  Method: 2D correlation NMR
  Figure: Figure 5  

Crystal Structure

  Authors: van Koningsveld, H.
  Title: High-temperature (350K) orthorhombic framework structure of zeolite H-ZSM-5
  Reference: Acta Crystallogr., B46, 731-735 (1990)

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. 79.5 MHz (Field = 9.4 Tesla)
  Pulse sequence single pulse
  MAS frequency 4 - 6 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]-MFI

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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