Abstract

The thermal evolution of the quadrupole parameters determined using the time differential perturbed angular correlation technique at titanium sites, in NiTiF6·6H2O is presented. The study of the thermal behavior of the hyperfine quadrupole interaction allows one to observe the occurrence of a structural phase transition around 140 K. The thermal evolution of the hyperfine quadrupole frequency of the high temperature phase was interpreted in terms of the flip motion of the water molecules through an ad hoc model. Parameters associated with the model are in good agreement with independent data obtained by Raman scattering. The agreement gives support to the model to be a valuable tool to study the dynamics of molecular groups in crystalline hydrates.

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