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Phase Transition in Hydrogen-Bonded 1‑Adamantane-methanol

hal.structure.identifierLaboratoire Ondes et Matière d'Aquitaine [LOMA]
hal.structure.identifierLaboratoire des Matériaux Composites céramiques et Polymères [Université de Sfax] [LaMaCoP]
dc.contributor.authorHASSINE, Bacem Ben
hal.structure.identifierLaboratoire Ondes et Matière d'Aquitaine [LOMA]
dc.contributor.authorNEGRIER, Philippe
hal.structure.identifierDepartament de Fisica i Enginyeria Nuclear [UPC, Barcelone] [ETSEIB]
dc.contributor.authorBARRIO, Maria
hal.structure.identifierLaboratoire Ondes et Matière d'Aquitaine [LOMA]
dc.contributor.authorMONDIEIG, Denise
hal.structure.identifierImagerie Moléculaire et Nanobiotechnologies - Institut Européen de Chimie et Biologie [IECB]
dc.contributor.authorMASSIP, Stéphane
hal.structure.identifierDepartament de Fisica i Enginyeria Nuclear [UPC, Barcelone] [ETSEIB]
dc.contributor.authorTAMARIT, Josep Lluis
dc.date.created2015-06-03
dc.date.issued2015
dc.identifier.issn1528-7483
dc.description.abstractEnThe polymorphism of 1-adamantane-methanol C11H18O has been investigated by differential thermal analysis and single-crystal and powder X-ray diffraction. Below the melting temperature (389.5 ± 0.4 K), this compound exhibits an orthorhombic phase (phase I, Pnnm, Z = 12, Z′ = 1.5). The melting enthalpy was determined to be 20.5 ± 0.4 kJ mol−1, i.e., with an entropy change of (6.34 ± 0.13)R, which is much higher than the quoted value from Timmermans for the melting orientationally disordered phases (2.5R), thus supporting the orientationally ordered character of phase I. This orthorhombic phase I exhibits a statistical disorder of the hydrogen atom related to the oxygen atom, due to the position of one independent molecule on the mirror. At ca. 272 K, phase I transforms continuously through an order−disorder transition to a low-temperature monoclinic phase II (P21/n, Z = 12, Z′ = 3). The monoclinic and orthorhombic phases are related by a group−subgroup relationship, which perfectly agrees with the continuous character of the II to I transition. Moreover, by a convenient choice of an order parameter related to the continuous tilt of the c-axis, the critical exponent for this transition is found to be close to the theoretical prediction of the threedimensional Ising model (with a critical exponent of ca. 0.27).
dc.language.isoen
dc.publisherAmerican Chemical Society
dc.rights.urihttp://creativecommons.org/licenses/by-nc-sa/
dc.title.enPhase Transition in Hydrogen-Bonded 1‑Adamantane-methanol
dc.typeArticle de revue
dc.identifier.doi10.1021/acs.cgd.5b00764
dc.subject.halChimie/Cristallographie
dc.subject.halChimie/Matériaux
bordeaux.journalCrystal Growth & Design
bordeaux.page4149–4155
bordeaux.volume15
bordeaux.issue8
bordeaux.peerReviewedoui
hal.identifierhal-01186360
hal.version1
hal.popularnon
hal.audienceInternationale
hal.origin.linkhttps://hal.archives-ouvertes.fr//hal-01186360v1
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