Database of Zeolite Structures
 
Framework Type MFI
29Si MAS NMR spectrum of dealuminated ZSM-5 with p-xylene (8 mol/uc)


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
Si18
T6
Q4(0Al)
-119.56
1.000
0.13
1.000
Si4
T4
Q4(0Al)
-119.38
1.000
0.18
1.000
Si3
T3
Q4(0Al)
-118.57
1.000
0.16
1.000
Si16
T4
Q4(0Al)
-117.26
1.000
0.18
1.000
Si17
T5
Q4(0Al)
-116.91
1.000
0.15
1.000
Si12
T12
Q4(0Al)
-116.31
1.000
0.16
1.000
Si23
T11
Q4(0Al)
-115.48
1.000
0.19
1.000
Si24
T12
Q4(0Al)
-115.48
1.000
0.19
1.000
Si6
T6
Q4(0Al)
-115.48
1.000
0.19
1.000
Si8
T8
Q4(0Al)
-115.28
1.000
0.19
1.000
Si11
T11
Q4(0Al)
-115.04
1.000
0.22
1.000
Si2
T2
Q4(0Al)
-114.97
1.000
0.22
1.000
Si14
T2
Q4(0Al)
-114.62
1.000
0.18
1.000
Si13
T1
Q4(0Al)
-114.62
1.000
0.18
1.000
Si5
T5
Q4(0Al)
-114.44
1.000
0.18
1.000
Si15
T3
Q4(0Al)
-114.05
1.000
0.19
1.000
Si20
T8
Q4(0Al)
-113.96
1.000
0.19
1.000
Si7
T7
Q4(0Al)
-113.74
1.000
0.19
1.000
Si21
T9
Q4(0Al)
-113.25
1.000
0.14
1.000
Si22
T10
Q4(0Al)
-113.14
1.000
0.14
1.000
Si9
T9
Q4(0Al)
-112.80
1.000
0.15
1.000
Si19
T7
Q4(0Al)
-112.63
1.000
0.15
1.000
Si1
T1
Q4(0Al)
-111.58
1.000
0.16
1.000
Si10
T10
Q4(0Al)
-111.26
1.000
0.20
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 2d  

Peak Assignment

  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)
  Method: 2D correlation NMR
  Figure: Figure 9  

Crystal Structure

  Authors: Van Koningsveld, H., Tuinstra, F., Van Bekkum, H., Jansen, J.C.
  Title: The location of p-xylene in a single crystal of zeolite H-ZSM-5 with a new, sorbatea-induced, orthorhombic framework symmetry
  Reference: Acta Cryst., B45, 423-431 (1989)

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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