The NMR spectra have been taken from the literature, digitized using WebPlotDigitizer, and then deconvoluted using a Mathematica routine. At the moment only simple 29Si MAS NMR spectra on some pure silca materials are included, but the list is expected to grow as time permits.
Spectrum
The default view of the spectrum shows the digitized spectrum in blue, the model fit in orange, and the chemical shifts in red. The latter are displayed as vertical lines with the height indicating the relative intensity. The legend can be used to to toggle the plots on and off, and to add the deconvolution and/or the difference plots.
If an assignment of the signals has been reported, the details are presented in a table. Because different authors use different numbering schemes in their structures, the numbering system used by the original authors is given in the table, and the corresponding topological T sites from the Framework Type in the Database are also listed.
A reference and the specific figure used for the digitization is given under the subtitle "Spectrum". If peaks have been assigned, that reference is given along with the method used for the assignment. In this case, a third reference with the numbering scheme used in the assignment of T atoms is also listed.
Experimental details for the recorded spectrum and for the subsequent processing are given here.
For interested users, the digitized spectrum and all associated data can be downloaded in JCAMP-DX format, and plotted data in .csv format.
last updated: 4-August-2023