Short-range-order correlations in the orientationally disordered phase of hexachloroethane. II. Elastic and quasielastic neutron scattering

Abstract

The dynamical origin of the orientational disorder in the plastic crystalline phase of hexachloroethane (C2C16) has been determined by inelastic neutron scattering. A comparison between the energyintegrated neutron scattering and the diffuse X-ray scattering, which was reported previously, enables single-molecule scattering and contributions to the diffuse scattering due to short-range correlations to be distinguished. A single-particle rotational diffusion model explains the quasielastic part of the inelastic scattering. The one-dimensional ordered clusters have a considerably larger characteristic time and contribute to the 'elastic' intensity. Reasons for the complete absence of well defined collective translational excitations are discussed.

Investigating disordered phases of C2Cl6 using an information theory approach

“…Regarding the structure of the plastic phase, in 1981 Gerlach et al [12] conducted a neutron powder and single-crystal investigation and later Gerlach et al [13] compared the previous results to a model structure of the plastic phase from a Monte Carlo (MC) method. In 1988 Gerlach and Prandl [14] studied the orientational ordering in the plastic phase using diffuse X-ray scattering and later (Gerlach et al [15]) with elastic and quasielastic neutron scattering. Criado and Muñoz [8] performed Molecular Dynamics (MD) simulations on the plastic phase of C 2 Cl 6 and they used their results to interpret inelastic neutron scattering experiments [9].…”

Competing structures within the first shell of liquid C2Cl6: A molecular dynamics study

“…For the structure of the plastic phase Gerlach et.al [15] conducted a neutron powder and Single-Crystal investigation and later Gerlach et.al [16] compared the previous results to a model structure of the plastic phase from a Monte Carlo (MC) method. In 1988 Gerlach and Prandl [17] studied the orientational ordering in the plastic phase using diffuse X-ray scattering and later (Gerlach et al [18]) with elastic and quasielastic neutron scattering. Criado and Muñoz [19] used MD to simulate the plastic phase of C 2 Cl 6 and used the results to interpret an inelastic neutron scattering experiment [20].…”