TU Darmstadt / ULB / TUbiblio

Molecular dynamics in perfluoro‐n‐eicosane. IV. Oscillatory and diffusive rotational motion

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
PPN:
Export:
Suche nach Titel in: TUfind oder in Google
Frage zum Eintrag Frage zum Eintrag

Optionen (nur für Redakteure)
Redaktionelle Details anzeigen Redaktionelle Details anzeigen