H. Farman et al., STRUCTURAL STUDIES OF CYCLOHEXANE C6D12 BY NEUTRON-DIFFRACTION .3. TEMPERATURE-VARIATION MEASUREMENTS FOR THE LIQUID AND PLASTIC CRYSTAL PHASES, Molecular physics, 87(5), 1996, pp. 1217-1233
Neutron diffraction measurements on C6D12 over a wide temperature rang
e, covering liquid crystal, plastic crystal and brittle crystal phases
, are presented. The data extend work conducted previously over a rest
ricted temperature range and show that the structural features are dep
endent on the thermal history of the sample. The results demonstrate t
he relative contributions from lattice symmetry (ordered) and diffuse
scattering (disordered) at varying temperatures. The spatial distribut
ion function undergoes a complex change in which orientational correla
tions between adjacent molecules appear to be coupled to translational
displacements of the molecular centres. Previous assumptions that cyc
lohexane is an 'almost-unhindered' rotator are found to be erroneous a
nd the spatial correlations exhibit a complex relationship which is se
nsitive to temperature variation. Further methods for the analysis of
the order-disorder features are considered.