Peak |
T site |
Q-type |
Chemical Shift |
Relative |
Peak Width |
Peak Shape |
Assigment |
(topological) | (ppm) |
Peak Area |
(ppm) |
(x)L (1-x)G |
|
P3 | T6 | Q4(4Al) | -27.85 | 1.000 | 1.46 | 0.287 |
P2 | T5 | Q4(4Al) | -18.23 | 1.000 | 1.09 | 0.287 |
P1 | T4 | Q4(4Al) | -16.45 | 1.000 | 1.60 | 0.287 |
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) DOI: 10.1016/S1387-1811(03)00499-2 |
||||
| 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) DOI: 10.1016/S1387-1811(03)00499-2 | ||||
| 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) DOI: 10.1016/S1387-1811(03)00499-2 |
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. | 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 = methanamine (stick drawing)  MAH+ = CH6N+ = methylammonium ion = methylazanium (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) |