Abstract

We have animated the disorder-order transformations that occur in tellurium hexafluoride clusters at different temperatures. In these clusters the octahedral TeF6 molecules are reorienting in a complicate way that depends on the intermolecular interactions and the cluster temperature and behave as hindered rotors. The 3D orientational distribution of the molecules is projected onto a two-dimensional spherical surface with the help of the method which we have previously developed to reveal the mechanism of ordering process in plastic clusters. A projection that corresponds to a fixed time t and temperature T is called a (t-T) frame. The time evolution of the cluster at a given temperature is animated by using successive time frames. The animation is accomplished in Java. This presentation elucidates the process of the structural phase change from a more orientationally disordered to a more ordered phase that is characterized with an alignment of the molecular symmetry axes along a particular direction. We conclude that the metastable phase which has been experimentally detected in the TeF6 clusters corresponds to a partial alignment of the molecular axis of symmetry.