Lattice and methyl-group dynamics in solid p-xylene with different deuterated molecules
Natkaniec I.1,2, Kalus J.3, Griessl W.3, Hołderna-Natkaniec K.4
- 1Frank Laboratory of Neutron Physics, JINR, 141980 Dubna, Russian Federation
- 2H. Niewodniczanski Inst. Nucl. Phys., 31-342 Krakow, Poland
- 3Institute of Physics, University of Bayreuth, 95440 Bayreuth, Germany
- 4Institute of Physics, A. Mickiewicz University, 61-614 Poznan, Poland
Physica B: Condensed Matter, 234-236, pp.104-105, 1997
DOI::
Abstract:
The incoherent inelastic neutron scattering (IINS) spectra of solid p-xylenes with different deuterated molecules have been investigated. The lattice dynamics model based on the atom-atom potential set of parameters, fitted to the dynamics of solid benzene, cannot be applied directly to p-xylene. By decreasing the potential depth for the C-H/D and H/D-H/D interactions of the methyl groups with the neighbouring atoms, we were able to get the correct energies for their torsional vibrations and to show how they are coupled to the lattice modes. One set of atom-atom potential parameters can satisfactorily describe the lattice dynamics of four p-xylenes with differently deuterated molecules.
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