Back to Search Start Over

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

Authors :
Oliver Kirstein
A. Buchsteiner
Andreas Wischnewski
H. Grimm
M. Prager
Source :
The journal of chemical physics 127, 094504 (2007). doi:10.1063/1.2760205
Publication Year :
2007
Publisher :
AIP Publishing, 2007.

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 CH(3)X, 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 CH(3)Br and CH(3)I.

Details

ISSN :
10897690 and 00219606
Volume :
127
Database :
OpenAIRE
Journal :
The Journal of Chemical Physics
Accession number :
edsair.doi.dedup.....9161343d177360883b2a4ac72954e574
Full Text :
https://doi.org/10.1063/1.2760205