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Structure and reorientational dynamics of 1-F-adamantane

hal.structure.identifierLaboratoire des Matériaux Composites céramiques et Polymères [Université de Sfax] [LaMaCoP]
hal.structure.identifierLaboratoire Ondes et Matière d'Aquitaine [LOMA]
dc.contributor.authorHASSINE, Bacem Ben
hal.structure.identifierLaboratoire Ondes et Matière d'Aquitaine [LOMA]
dc.contributor.authorNÉGRIER, Philippe
hal.structure.identifierDepartament de Fisica i Enginyeria Nuclear [UPC, Barcelone] [ETSEIB]
dc.contributor.authorROMANINI, M.
hal.structure.identifierDepartament de Fisica i Enginyeria Nuclear [UPC, Barcelone] [ETSEIB]
dc.contributor.authorBARRIO, M.
hal.structure.identifierDepartament de Fisica i Enginyeria Nuclear [UPC, Barcelone] [ETSEIB]
dc.contributor.authorMACOVEZ, R
hal.structure.identifierLaboratoire des Matériaux Composites céramiques et Polymères [Université de Sfax] [LaMaCoP]
dc.contributor.authorKALLEL, A.
hal.structure.identifierLaboratoire Ondes et Matière d'Aquitaine [LOMA]
dc.contributor.authorMONDIEIG, Denise
hal.structure.identifierDepartament de Fisica i Enginyeria Nuclear [UPC, Barcelone] [ETSEIB]
dc.contributor.authorTAMARIT, Josep Ll
dc.date.created2016-02-19
dc.date.issued2016-04-28
dc.identifier.issn1463-9076
dc.description.abstractEnThe polymorphism and the dynamics of a simple rigid molecule (1-fluoro-adamantane) have been studied by means of X-ray powder diffraction and broadband dielectric spectroscopy. At temperatures below the melting point, the molecule forms an orientationally disordered Phase I with a cubic-centered structure (Phase I, Fm 3m, Z = 4). This phase possesses eight equilibrium positions for the fluorine atom, with equal occupancy factors of 1/8. A solid solid phase transition to a low-temperature tetragonal phase (Phase II, P 42 1 c, Z = 2) reduces the statistical disorder to only four possible equivalent sites for the fluorine atom, with fractional occupancies of 1/4. The dynamics has been rationalized under the constraints imposed by the space group of the crystal structure determined by powder X-ray diffraction. The dielectric spectroscopy study reveals that the statistical disorder in Phase II is dynamic in character and is associated with reorientational jumps along the two-and threefold axes. In the dielectric loss spectra, the cooperative (a) relaxation exhibits a shoulder on the high-frequency side. This remarkable finding clearly reveals the existence of two intrinsic reorientational processes associated with the exchange of the F atom along the four sites. In addition to such ''bimodal'' relaxation, a secondary Johari Goldstein relaxation is detected at lower temperatures.
dc.language.isoen
dc.publisherRoyal Society of Chemistry
dc.rights.urihttp://creativecommons.org/licenses/by-sa/
dc.title.enStructure and reorientational dynamics of 1-F-adamantane
dc.typeArticle de revue
dc.identifier.doi10.1039/c6cp01144f
dc.subject.halChimie/Cristallographie
bordeaux.journalPhysical Chemistry Chemical Physics
bordeaux.page10924-10930
bordeaux.volume18
bordeaux.issue16
bordeaux.peerReviewedoui
hal.identifierhal-01341793
hal.version1
hal.popularnon
hal.audienceInternationale
hal.origin.linkhttps://hal.archives-ouvertes.fr//hal-01341793v1
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