AST: NMR spectra

Database of Zeolite Structures

Framework Type AST

²⁹Si MAS NMR spectrum of calcined pure silica octadecasil

Note: Toggle plots by clicking on the legend

Peak	T site	Q-type	Chemical Shift	Relative	Peak Width	Peak Shape
Assigment	(topological)	Q-type	(ppm)	Peak Area	(ppm)	(x)L (1-x)G
Si2	T2	Q4(0Al)	-114.72	1.000	1.76	0.726
Si1	T1	Q4(0Al)	-111.77	4.000	0.58	0.726

References

Spectrum

	Authors:	Villaescusa, L.A., Barrett, P.A., Camblor, M.A.
	Title:	Calcination of Octadecasil: Fluoride Removal and Symmetry of the Pure SiO₂ Host
	Reference:	Chem. Mater., 10, 3966-3973 (1998) DOI: 10.1021/cm9804113
	Figure:	Figure 4

Peak Assignment

	Authors:	Villaescusa, L.A., Barrett, P.A., Camblor, M.A.
	Title:	Calcination of Octadecasil: Fluoride Removal and Symmetry of the Pure SiO₂ Host
	Reference:	Chem. Mater., 10, 3966-3973 (1998) DOI: 10.1021/cm9804113
	Method:	relative intensities

Crystal Structure

	Authors:	Villaescusa, L.A., Barrett, P.A., Camblor, M.A.
	Title:	Calcination of Octadecasil: Fluoride Removal and Symmetry of the Pure SiO₂ Host
	Reference:	Chem. Mater., 10, 3966-3973 (1998) DOI: 10.1021/cm9804113

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) DOI: 10.1016/j.micromeso.2020.110000

Spectrum information

	Obs. freq.	79.459 MHz (Field = 9.4 Tesla)
	Pulse sequence	single pulse
	MAS frequency	5.5 kHz
	Spectrum	Digitized and processed by Brouwer Lab, Redeemer University
	Data processing	Spectrum digitized with WebPlotDigitizer and deconvoluted with Mathematica notebook

Chemical Formula

[Si - O]-AST

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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