Characterization of oxygen dynamics in ZrW2O8

J Am Chem Soc. 2005 Nov 2;127(43):15175-81. doi: 10.1021/ja054063z.

Abstract

The dynamics of oxygen motion in ZrW(2)O(8) have been characterized using (17)O solid-state NMR. Rates of dynamic exchange have been extracted from magnetization transfer experiments over a temperature range of 40 to 226 degrees C, and distinct values for the associated activation barrier have been observed on either side of the order/disorder phase transition at approximately 175 degrees C. A detailed model for the dynamical process is proposed, which reconciles the observation of continuing oxygen dynamics in the low-temperature phase with the static order implied by earlier X-ray diffraction studies.