Journal of Physical Chemistry B and C, v114, Issues 23

Crystalline Aluminum Hydroxide Fluorides AlFx(OH)3−x·H2O: Structural Insights from 1H and 2H Solid State NMR and Vibrational Spectroscopy

G. Scholz*, S. Brehme, R. Knig, D. Heidemann and E. Kemnitz*
J. Phys. Chem. C, 2010, 114 (23), pp 10535–10543
DOI: 10.1021/jp1023857

AbstractFor the first time, 1H/2H MAS NMR signals of crystalline hydroxide fluorides AlFx(OH)3−x·H2O, as well as of the dehydrated samples, both with pyrochlore structure, were resolved, identified, and assigned in direct correlation with vibrational bands of respective FT IR spectra. The use of magnetically diluted samples in combination with 1H spin−echo experiments, 2H MAS, and 19F−2H CP and 1H−2H CP MAS NMR experiments gave information on different 2H (1H) sites in relation to present structural motifs known from the crystal structure.