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Phase transition in hydrogen-bonded 1-adamantane-methanol
dc.contributor.author | Ben Hassine, Bacem |
dc.contributor.author | Negrier, Philippe |
dc.contributor.author | Barrio Casado, María del |
dc.contributor.author | Mondieig, Denise |
dc.contributor.author | Massip, Stephane |
dc.contributor.author | Tamarit Mur, José Luis |
dc.contributor.other | Universitat Politècnica de Catalunya. Departament de Física i Enginyeria Nuclear |
dc.date.accessioned | 2015-09-22T11:46:59Z |
dc.date.available | 2016-08-01T00:30:51Z |
dc.date.created | 2015-08-01 |
dc.date.issued | 2015-08-01 |
dc.identifier.citation | Ben Hassine, B., Negrier, P., Del Barrio, M., Mondieig, D., Massip, S., Tamarit, J. Ll. Phase transition in hydrogen-bonded 1-adamantane-methanol. "Crystal growth and design", 01 Agost 2015, núm. 8, p. 4149-4155. |
dc.identifier.issn | 1528-7483 |
dc.identifier.uri | http://hdl.handle.net/2117/77015 |
dc.description.abstract | The polymorphism of 1-adarnantane-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 (P2(1)/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 three-dimensional Ising model (with a critical exponent of ca. 0.27). |
dc.format.extent | 7 p. |
dc.language.iso | eng |
dc.rights.uri | http://creativecommons.org/licenses/by-nc-nd/3.0/es/ |
dc.subject | Àrees temàtiques de la UPC::Física::Termodinàmica |
dc.subject | Àrees temàtiques de la UPC::Enginyeria química::Química física |
dc.subject.lcsh | Atoms |
dc.subject.lcsh | Thermochemistry |
dc.subject.other | High-pressure |
dc.subject.other | Plastic crystals |
dc.subject.other | Molecular reorientations |
dc.subject.other | Substituted adamantanes |
dc.subject.other | Disorder |
dc.subject.other | Polymorphism |
dc.subject.other | Temperature |
dc.subject.other | Behavior |
dc.title | Phase transition in hydrogen-bonded 1-adamantane-methanol |
dc.type | Article |
dc.subject.lemac | Àtoms |
dc.subject.lemac | Termoquímica |
dc.contributor.group | Universitat Politècnica de Catalunya. GCM - Grup de Caracterització de Materials |
dc.identifier.doi | 10.1021/acs.cgd.5b00764 |
dc.rights.access | Open Access |
local.identifier.drac | 16870334 |
dc.description.version | Postprint (published version) |
local.citation.author | Ben Hassine, B.; Negrier, P.; Del Barrio, M.; Mondieig, D.; Massip, S.; Tamarit, J. Ll. |
local.citation.publicationName | Crystal growth and design |
local.citation.volume | 15 |
local.citation.number | 8 |
local.citation.startingPage | 4149 |
local.citation.endingPage | 4155 |
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