Database of Zeolite Structures
 
Framework Type SAT
31P MAS NMR spectrum of calcined STA-2


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
P2
T1
Q4(4Al)
-34.79
1.000
1.67
0.112
P1
T2
Q4(4Al)
-29.53
1.000
1.25
0.112


References
Spectrum

  Authors: Castro, M., Seymour, V.R., Carnevale, D., Griffin, J.M., Ashbrook, S.E., Wright, P.A., Apperley, D.C., Parker, J.E., Thompson, S.P., Fecant, A., Bats, N.
  Title: Molecular modeling, multinuclear NMR, and diffraction studies in the templated synthesis and characterization of the aluminophosphate molecular sieve STA-2
  Reference: Journal of Physical Chemistry C, 114, 12698-12710 (2010)
  Figure: Figure 9b  

Peak Assignment

  Authors: Castro, M., Seymour, V.R., Carnevale, D., Griffin, J.M., Ashbrook, S.E., Wright, P.A., Apperley, D.C., Parker, J.E., Thompson, S.P., Fecant, A., Bats, N.
  Title: Molecular modeling, multinuclear NMR, and diffraction studies in the templated synthesis and characterization of the aluminophosphate molecular sieve STA-2
  Reference: Journal of Physical Chemistry C, 114, 12698-12710 (2010)
  Method: 2D correlation NMR, quantum chemical calculations
  Figure: Figure 9d, Table 4  

Crystal Structure

  Authors: Castro, M., Seymour, V.R., Carnevale, D., Griffin, J.M., Ashbrook, S.E., Wright, P.A., Apperley, D.C., Parker, J.E., Thompson, S.P., Fecant, A., Bats, N.
  Title: Molecular modeling, multinuclear NMR, and diffraction studies in the templated synthesis and characterization of the aluminophosphate molecular sieve STA-2
  Reference: Journal of Physical Chemistry C, 114, 12698-12710 (2010)

Digitization and Modeling of Spectrum

  To reference this collection of solid-state NMR spectra, we suggest:
  Authors: Brouwer, D.H. and White, A.L.
  Title: A comprehensive collection of solid-state 31P NMR spectra of aluminophosphate zeolites.
  Reference: Microporous Mesoporous Mat., 337, 111934 (2022)
Spectrum information

  Obs. freq. 242.9 MHz (Field = 14.1 Tesla)
  Pulse sequence single pulse
  MAS frequency 10 kHz
  Spectrum Digitized and processed by Brouwer Lab, Redeemer University
  Data processing Spectrum digitized with WebPlotDigitizer and deconvoluted with Mathematica notebook
 
  CommentPeak assignments based on a 2D 27Al/31P correlation spectrum and plane-wave DFT calculations

Chemical Formula

  [Al - P - O]-SAT

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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