Quasielastic neutron scattering experiments including activation energies and mathematical modeling of methyl halide dynamics

Kirstein, O; Prager, M; Grimm, H; Buchsteiner, A; Wischnewski, A

Quasielastic neutron scattering experiments including activation energies and mathematical modeling of methyl halide dynamics

Date

2007-09-07

Authors

Publisher

American Institute of Physics

Abstract

Quasielastic neutron scattering experiments were carried out using the multichopper time-of-flight spectrometer V3 at the Hahn-Meitner Institut, Germany and the backscattering spectrometer at Forschungszentrum Julich, Germany. Activation energies for CH3X, X=F, Cl, Br, and I, were obtained. In combination with results from previous inelastic neutron scattering experiments the data were taken to describe the dynamics of the halides in terms of two different models, the single particle model and the coupling model. Coupled motions of methyl groups seem to explain the dynamics of the methyl fluoride and chloride; however, the coupling vanishes with the increase of the mass of the halide atom in CH3Br and CH3I. © 2007, American Institute of Physics

Keywords

Crystal structure, Rotation, Bromides, Iodides, Scattering, Mathematical models

Citation

Kirstein, O., Prager, M., Grimm, H., Buchsteiner, A., & Wischnewski, A. (2007). Quasielastic neutron scattering experiments including activation energies and mathematical modeling of methyl halide dynamics. Journal of Chemical Physics, 127(9), 094504. doi:10.1063/1.2760205