Structural changes associated with the phase transition in t-butyl cyanide
- 1 January 1982
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics
- Vol. 78 (7) , 1009-1023
- https://doi.org/10.1039/f29827801009
Abstract
The structure of the low-temperature phase of t-[2H9]butyl cyanide [(CD3)3CCN] has been determined and refined as a function of temperature between 5 and 232 K (Ttr= 233 K) using powder diffraction data. Although the structure may be refined using a fully ordered model, arguments are given to support an alternative and equally successful refinement involving the onset of disorder similar to that already established in the high-temperature phase. The order parameter is then determined from the unit-cell angle β and its temperature dependence is in reasonable accord with simple mean field behaviour with Tc= 245 K; the transition is shown to be of the order-disorder type. No structural changes have been found near the previously reported transition at 213 K.Keywords
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