Phase Transition in Hydrogen-Bonded 1‑Adamantane-methanol
| hal.structure.identifier | Laboratoire Ondes et Matière d'Aquitaine [LOMA] | |
| hal.structure.identifier | Laboratoire des Matériaux Composites céramiques et Polymères [Université de Sfax] [LaMaCoP] | |
| dc.contributor.author | HASSINE, Bacem Ben | |
| hal.structure.identifier | Laboratoire Ondes et Matière d'Aquitaine [LOMA] | |
| dc.contributor.author | NEGRIER, Philippe | |
| hal.structure.identifier | Departament de Fisica i Enginyeria Nuclear [UPC, Barcelone] [ETSEIB] | |
| dc.contributor.author | BARRIO, Maria | |
| hal.structure.identifier | Laboratoire Ondes et Matière d'Aquitaine [LOMA] | |
| dc.contributor.author | MONDIEIG, Denise | |
| hal.structure.identifier | Imagerie Moléculaire et Nanobiotechnologies - Institut Européen de Chimie et Biologie [IECB] | |
| dc.contributor.author | MASSIP, Stéphane | |
| hal.structure.identifier | Departament de Fisica i Enginyeria Nuclear [UPC, Barcelone] [ETSEIB] | |
| dc.contributor.author | TAMARIT, Josep Lluis | |
| dc.date.created | 2015-06-03 | |
| dc.date.issued | 2015 | |
| dc.identifier.issn | 1528-7483 | |
| dc.description.abstractEn | The 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.iso | en | |
| dc.publisher | American Chemical Society | |
| dc.rights.uri | http://creativecommons.org/licenses/by-nc-sa/ | |
| dc.title.en | Phase Transition in Hydrogen-Bonded 1‑Adamantane-methanol | |
| dc.type | Article de revue | |
| dc.identifier.doi | 10.1021/acs.cgd.5b00764 | |
| dc.subject.hal | Chimie/Cristallographie | |
| dc.subject.hal | Chimie/Matériaux | |
| bordeaux.journal | Crystal Growth & Design | |
| bordeaux.page | 4149–4155 | |
| bordeaux.volume | 15 | |
| bordeaux.issue | 8 | |
| bordeaux.peerReviewed | oui | |
| hal.identifier | hal-01186360 | |
| hal.version | 1 | |
| hal.popular | non | |
| hal.audience | Internationale | |
| hal.origin.link | https://hal.archives-ouvertes.fr//hal-01186360v1 | |
| bordeaux.COinS | ctx_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.jtitle=Crystal%20Growth%20&%20Design&rft.date=2015&rft.volume=15&rft.issue=8&rft.spage=4149%E2%80%934155&rft.epage=4149%E2%80%934155&rft.eissn=1528-7483&rft.issn=1528-7483&rft.au=HASSINE,%20Bacem%20Ben&NEGRIER,%20Philippe&BARRIO,%20Maria&MONDIEIG,%20Denise&MASSIP,%20St%C3%A9phane&rft.genre=article |
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