Kimmig, M. ; Steiner, R. ; Strobl, G. ; Stühn, B. (1993)
Molecular dynamics in perfluoro‐n‐eicosane. IV. Oscillatory and diffusive rotational motion.
In: Journal of Chemical Physics, 99 (10)
Artikel, Bibliographie
Kurzbeschreibung (Abstract)
Rotations of the molecules about their long axis constitute an important part in the complex pattern of internal motions in the rhombohedral phase of perfluoro-n-eicosane (C20F42). Dynamical studies were performed by quasielastic and inelastic neutron scattering. Spectra were determined in a range of strong diffuse scattering. They show a superposition of librations (deltaE congruent-to 1-2 meV) and rotational diffusion (deltaE congruent-to 10-100 mueV). Reorientation rates exhibit a slowing down on approaching the transition to the low temperature phase (T(c) = 200 K). As indicated by this slowing down, by the nonexponential relaxation function, and also an intensity enhancement at the Bragg-positions, rotations occur correlated between neighboring molecules. The state of motion can be simulated by molecular dynamics calculations performed for a two-dimensional lattice of coupled rotators.
| Typ des Eintrags: | Artikel |
|---|---|
| Erschienen: | 1993 |
| Autor(en): | Kimmig, M. ; Steiner, R. ; Strobl, G. ; Stühn, B. |
| Art des Eintrags: | Bibliographie |
| Titel: | Molecular dynamics in perfluoro‐n‐eicosane. IV. Oscillatory and diffusive rotational motion |
| Sprache: | Englisch |
| Publikationsjahr: | November 1993 |
| Titel der Zeitschrift, Zeitung oder Schriftenreihe: | Journal of Chemical Physics |
| Jahrgang/Volume einer Zeitschrift: | 99 |
| (Heft-)Nummer: | 10 |
| Kurzbeschreibung (Abstract): | Rotations of the molecules about their long axis constitute an important part in the complex pattern of internal motions in the rhombohedral phase of perfluoro-n-eicosane (C20F42). Dynamical studies were performed by quasielastic and inelastic neutron scattering. Spectra were determined in a range of strong diffuse scattering. They show a superposition of librations (deltaE congruent-to 1-2 meV) and rotational diffusion (deltaE congruent-to 10-100 mueV). Reorientation rates exhibit a slowing down on approaching the transition to the low temperature phase (T(c) = 200 K). As indicated by this slowing down, by the nonexponential relaxation function, and also an intensity enhancement at the Bragg-positions, rotations occur correlated between neighboring molecules. The state of motion can be simulated by molecular dynamics calculations performed for a two-dimensional lattice of coupled rotators. |
| Fachbereich(e)/-gebiet(e): | 05 Fachbereich Physik 05 Fachbereich Physik > Institut für Festkörperphysik (2021 umbenannt in Institut für Physik Kondensierter Materie (IPKM)) |
| Hinterlegungsdatum: | 26 Feb 2010 13:53 |
| Letzte Änderung: | 05 Mär 2013 09:32 |
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