Database of Zeolite Structures
 
Framework Type MFI
29Si MAS NMR spectrum of calcined dealuminated ZSM-5 (room temperature monoclinic)


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)
-116.97
1.000
0.10
1.000
Si16
T4
Q4(0Al)
-116.01
1.000
0.11
1.000
Si14
T2
Q4(0Al)
-115.86
1.000
0.09
1.000
Si11
T11
Q4(0Al)
-115.18
1.000
0.11
1.000
Si23
T11
Q4(0Al)
-114.84
1.000
0.11
1.000
Si15
T3
Q4(0Al)
-114.53
1.000
0.10
1.000
Si17
T5
Q4(0Al)
-114.32
1.000
0.09
1.000
Si6
T6
Q4(0Al)
-114.13
1.000
0.09
1.000
Si18
T6
Q4(0Al)
-114.00
1.000
0.08
1.000
Si12
T12
Q4(0Al)
-113.94
1.000
0.08
1.000
Si4
T4
Q4(0Al)
-113.92
1.000
0.08
1.000
Si24
T12
Q4(0Al)
-113.87
1.000
0.08
1.000
Si3
T3
Q4(0Al)
-113.77
1.000
0.07
1.000
Si19
T7
Q4(0Al)
-113.57
1.000
0.08
1.000
Si20
T8
Q4(0Al)
-113.35
1.000
0.08
1.000
Si2
T2
Q4(0Al)
-113.28
1.000
0.11
1.000
Si1
T1
Q4(0Al)
-113.28
1.000
0.11
1.000
Si7
T7
Q4(0Al)
-113.25
1.000
0.11
1.000
Si9
T9
Q4(0Al)
-112.85
1.000
0.08
1.000
Si13
T1
Q4(0Al)
-112.72
1.000
0.09
1.000
Si22
T10
Q4(0Al)
-112.57
1.000
0.08
1.000
Si10
T10
Q4(0Al)
-112.07
1.000
0.10
1.000
Si5
T5
Q4(0Al)
-111.76
1.000
0.10
1.000
Si21
T9
Q4(0Al)
-109.87
1.000
0.10
1.000


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 2b  

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 7  

Crystal Structure

  Authors: van Koningsveld, H., Jansen, J.C. and van Bekkum, H.
  Title: The monoclinic framework structure of zeolite H-ZSM-5. Comparison with the orthorhombic framework of as-synthesized ZSM-5
  Reference: Zeolites, 10, 235-242 (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
  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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