PON: NMR spectra

References

Spectrum

	Authors:	Jorda, J.L., McCusker, L.B., Baerlocher, Ch., Morais, C.M., Rocha, J., Fernandez, C., Borges, C., Lourenco, J.P., Ribeiro, M.F. and Gabelica, Z.
	Title:	Structure analysis of the novel microporous aluminophosphate IST-1 using synchrotron powder diffraction data and HETCOR MAS NMR
	Reference:	Microporous Mesoporous Mat., 65, 43-57 (2003)
	Figure:	Figure 1b

Peak Assignment

	Authors:	Jorda, J.L., McCusker, L.B., Baerlocher, Ch., Morais, C.M., Rocha, J., Fernandez, C., Borges, C., Lourenco, J.P., Ribeiro, M.F. and Gabelica, Z.
	Title:	Structure analysis of the novel microporous aluminophosphate IST-1 using synchrotron powder diffraction data and HETCOR MAS NMR
	Reference:	Microporous Mesoporous Mat., 65, 43-57 (2003)
	Method:	2D correlation NMR
	Figure:	Figure 3

Crystal Structure

	Authors:	Jorda, J.L., McCusker, L.B., Baerlocher, Ch., Morais, C.M., Rocha, J., Fernandez, C., Borges, C., Lourenco, J.P., Ribeiro, M.F. and Gabelica, Z.
	Title:	Structure analysis of the novel microporous aluminophosphate IST-1 using synchrotron powder diffraction data and HETCOR MAS NMR
	Reference:	Microporous Mesoporous Mat., 65, 43-57 (2003)

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.	161.9 MHz (Field = 9.4 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
	Comment	Peak assignments based on a 2D ²⁷Al/³¹P correlation spectrum

Chemical Formula

|(MA)₄ (MAH+)₄ (OH)₄ | [Al₁₂P₁₂O₄₈]-PON
MA = CH₅N = methylamine = methanamine3D (stick drawing)

3D
MAH+ = CH₆N⁺ = methylammonium ion = methylazanium3D (stick drawing)

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)