Database of Zeolite Structures
 
Framework Type CHA
31P MAS NMR spectrum of as-made AlPO-34 (with fluoride and morpholine template)


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
P1
T1
Q4(4Al)
-29.88
1.00
1.43
0.297
P2
T1
Q4(4Al)
-23.81
1.00
1.54
0.297
P3
T1
Q4(4Al)
-7.67
1.00
1.10
0.297



References
Spectrum

  Authors: Dawson, D.M., Griffin, J.M., Seymour, V.R., Wheatley, P.S., Amri, M., Kurkiewicz, T., Guillou, N., Wimperis, S., Walton, R.I., Ashbrook, S.E.
  Title: A multinuclear NMR study of six forms of AlPO-34: Structure and motional broadening
  Reference: Journal of Physical Chemistry C, 121, 1781-1793 (2017
DOI: 10.1021/acs.jpcc.6b11908)
  Figure: Figure 3  

Peak Assignment

  Authors: Dawson, D.M., Griffin, J.M., Seymour, V.R., Wheatley, P.S., Amri, M., Kurkiewicz, T., Guillou, N., Wimperis, S., Walton, R.I., Ashbrook, S.E.
  Title: A multinuclear NMR study of six forms of AlPO-34: Structure and motional broadening
  Reference: Journal of Physical Chemistry C, 121, 1781-1793 (2017)
DOI: 10.1021/acs.jpcc.6b11908
  Method: average bond angles   Figure: Figure 4  

Crystal Structure

  Authors: Harding, M.M., Kariuki, B.M.
  Title: Microcrystal structure determination of AlPO4-CHA using synchrotron radiation
  Reference: Acta Crystallographica Section C Crystal Structure Communications, 50, 852-854 (1994)
DOI: 10.1107/s0108270194000326

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)
DOI: 10.1016/j.micromeso.2022.111934
Spectrum information

  Obs. freq. 243.246 MHz (Field = 14.1 Tesla)
  Pulse sequence single pulse
  MAS frequency 14 kHz
  Spectrum Digitized and processed by Brouwer Lab, Redeemer University
  Data processing Spectrum digitized with WebPlotDigitizer and deconvoluted with Mathematica notebook
 
  CommentPeak assignments are based on average bond angles determined from the single-crystal XRD structure by Harding et al. Note that the site numbering is different than Ashbrook et al.

Chemical Formula

  [Al - P - O]-CHA

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)