Abstract
Highly disordered and X-ray amorphous aluminum isopropoxide fluorides can be seen as intermediates formed during the synthesis of high-surface AlF3. Their 27Al MAS NMR spectra were recorded at different magnetic fields of up to 21.1 T. The 27Al 3QMAS experimental data derived at B0 = 14.1 T enabled the simulation of the 27Al MAS NMR spectrum. In addition to 6-fold coordinated species, the presence of four- and 5-fold coordinated AlFx(OiPr)CN−x (coordination number, CN, of 4 or 5) was unambiguously established for the first time for this system. A comparison of the chemical shifts observed for fluorine and aluminum isopropoxide fluorides with different F contents allows for a simple correlation for the appropriate species. As a main outcome, hints of corresponding F-species connected to 4-fold and 5-fold coordinated Al species were corroborated. Moreover, for the first time, AlFxO4−x and AlFxO5−x units present in the solids could be assigned based on a comprehensive graphical interpretation (27Al chemical ...
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