Neutron spectroscopy and QC modeling of the low-frequency internal vibrations of mesitylene
Cser L.1, Hołderna-Natkaniec K.2, Natkaniec I.3, Pawlukojc A.3
- 1Res. Inst. Solid Stt. Phys. and Opt., Hung. Acad. Serv., P.O. Box 49, H., Budapest, Hungary
- 2Department of Physics, A Mickiewicz University, 61-614, Poznan, Poland
- 3Frank Lab. of Neutron Physics JINR, 141980, Dubna, Russian Federation
Physica B: Condensed Matter, 276-278, pp.296-297, 2000
DOI:: 10.1016/S0921-4526(99)01488-X
Abstract:
Inelastic incoherent neutron scattering (IINS) study of the lattice and low-frequency internal vibrations (libration of methyl groups and benzene ring deformations) of mesitylene molecules were carried out at various temperatures. In solid phase at ca. 20 K, the above enumerated vibrations are represented in form of well-separated peaks in the low-temperature IINS spectrum. The experimental data are compared with the results of quantum chemistry (QC) calculations.
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