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Polymorphism of 2-Adamantanone

dc.contributor.authorNegrier, Philippe
dc.contributor.authorBarrio Casado, María del
dc.contributor.authorRomanini, Michela
dc.contributor.authorTamarit Mur, José Luis
dc.contributor.authorMondieig, Denise
dc.contributor.authorKrivchikov, Alexander I
dc.contributor.authorKepinski, L.
dc.contributor.authorJezowski, Andrzej
dc.contributor.authorSzewczyk, Daria
dc.contributor.otherUniversitat Politècnica de Catalunya. Departament de Física i Enginyeria Nuclear
dc.date.accessioned2014-06-11T11:23:23Z
dc.date.created2014-05-07
dc.date.issued2014-05-07
dc.identifier.citationNegrier, P. [et al.]. Polymorphism of 2-Adamantanone. "Crystal growth and design", 07 Maig 2014, vol. 14, núm. 5, p. 2626-2632.
dc.identifier.issn1528-7483
dc.identifier.urihttp://hdl.handle.net/2117/23199
dc.description.abstractThe polymorphism of 2-adamantanone (C10H14O) has been investigated by means of X-ray diffraction and high-pressure thermal analysis. The intricate behavior of the low-temperature crystalline phases has been disentangled. The stable phase has been found to be orthorhombic (Cmc2 1, Z = 4), fully ordered, with lattice parameters a = 6.8884(18) Å, b = 10.830(3) Å, c = 10.658(3) Å, and V/Z = 198.8(1) Å3. The metastable phase was determined to be monoclinic (P21/c, Z = 4) with lattice parameters a = 6.5920(17) Å, b = 11.118(3) Å, c = 12.589(3) Å, ß= 118.869(11) o, and V/Z = 202.0(1) Å3. The pressure-temperature phase diagram irrefutably shows the stability relation between both phases and, accordingly, the long-time unknown polymorphic behavior is now revealed and gives coherent physical explanation of the literature published so far.
dc.format.extent7 p.
dc.language.isoeng
dc.rightsAttribution-NonCommercial-NoDerivs 3.0 Spain
dc.rights.urihttp://creativecommons.org/licenses/by-nc-nd/3.0/es/
dc.subjectÀrees temàtiques de la UPC::Enginyeria química::Química física
dc.subject.lcshX-Ray diffraction
dc.subject.lcshThermochemistry
dc.subject.otherEngineering controlled terms
dc.subject.otherThermoanalysis
dc.subject.otherX ray diffraction
dc.titlePolymorphism of 2-Adamantanone
dc.typeArticle
dc.subject.lemacRaigs X -- Difracció
dc.subject.lemacFisicoquímica
dc.contributor.groupUniversitat Politècnica de Catalunya. GCM - Grup de Caracterització de Materials
dc.identifier.doi10.1021/cg500313m
dc.rights.accessRestricted access - publisher's policy
local.identifier.drac14920741
dc.description.versionPostprint (published version)
dc.date.lift10000-01-01
local.citation.authorNegrier, P.; Del Barrio, M.; Romanini, M.; Tamarit, J. Ll.; Mondieig, D.; Krivchikov, A.; Kepinski, L.; Jezowski, A.; Szewczyk, D.
local.citation.publicationNameCrystal growth and design
local.citation.volume14
local.citation.number5
local.citation.startingPage2626
local.citation.endingPage2632


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