Neutron spectroscopy and QC modeling of methyl dynamics in 1- and 2-methyl-naphthalene crystals
Hołderna-Natkaniec K.1, Natkaniec I.2,3, Pawlukojc A.2, Khavryuchenko V. D.4
- 1Department of Physics, A. Mickiewicz Univ., Ul. U., Poznań, Poland
- 2Frank Laboratory of Neutron Physics, JINR, 141980, Dubna, Russian Federation
- 3H. Niewodniczanski Inst. Nucl. P., Krakow, Poland
- 4Institute of Surface Chemistry, Ukrainian Academy of Science, 252028, Kiev, Ukraine
Physica B: Condensed Matter, 276-278, pp.292-293, 2000
DOI:: 10.1016/S0921-4526(99)01485-4
Abstract:
Vibrational densities of states of solid 1- and 2-methyl-naphthalene were obtained from the incoherent inelastic neutron scattering (IINS) spectra measured on the NERA spectrometer at the IBR-2 pulsed reactor in Dubna. Calculated spectra of the low-frequency vibrations of both studied molecules are compared with the experimental ones. Rotations of methyl groups were found to be affected by intermolecular interactions in the crystals and mixed with the lattice modes and naphthalene rings deformations.
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