Dataset for article "Lewis Acidic Aluminosilicates: Synthesis, 27Al MQ/MAS NMR, and DFT-Calculated 27Al NMR Parameters" in Inorganic Chemistry 2024, 63, 5, 2679–2694

Dataset for article "Lewis Acidic Aluminosilicates: Synthesis, 27Al MQ/MAS NMR, and DFT-Calculated 27Al NMR Parameters" in Inorganic Chemistry 2024, 63, 5, 2679–2694, https://doi.org/10.1021/acs.inorgchem.3c04035.

The directory Data contains the figures (SVG vector graphics), generating python scripts, and source data files for  the manuscript. Running the scripts requires Python 3, NumPy, and MatPlotLib packages. Some SVG figures were further annotated or modified in Inkscape. Reaction schemes were composed in Microsoft PowerPoint (PPTX files also included) and exported to SVG.

27Al_MAS_NMR/ - Figures of 1D 27Al MAS NMR and 2D 27Al TQ/MAS NMR spectra of all products (1-16). - Figures of 1D slices through the maxima of the resonances in the 27Al TQ/MAS NMR    spectra and the corresponding line shape simulation fits. DFT_NMR_XYZ/ - Optimized geometrical structures (XYZ format) of molecules included in the DFT computational   study of the 27Al NMR parameters.

Figures/ - All other figures and reaction schemes, sorted by figure.