Quasielastic neutron spectroscopy and rotational potentials of methyl halides

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The Bragg Institute, Australian Nuclear Science and Technology Organisation
The methyl halides belong to the simplest organic molecules that contain CH3 groups. The lattice dynamics of these molecules were modeled recently based on the exact crystallographic structure and transferable pair potential parameters. Experiments were done using the NEAT spectrometer at BENSC, HMI, Germany and the BSJ spectrometer at FZJ, Germany to obtain values for the individual activation energy. The experimental values for the activation energies were used to refine the Fourier parameters of the individual rotational potential. Experimentally determined activation energies for all molecules, but the methyl fluoride, agree with single particle model predictions. © The Authors
Physical copy held by ANSTO Library at DDC 539.7217/2
Halides, Molecules, Crystallography, Rotation, Quasi-elastic scattering, Spectrometers, Activation energy, Fourier analysis
Kirstein, O., Prager, M., Grimm, H., Buchsteiner, A., & Wischnewski, A. (2006). Quasielastic neutron spectroscopy and rotational potentials of methyl halides. Paper presented at the Eighth International Conference on Neutron Scattering ICNS 2005: "Neutrons for structure and dynamics - a new era", Sydney Convention & Exhibition Centre, Sydney, Australia, 27 November-2 December 2005. In Final Programme and Abstract Book, (pp. 203).