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dc.contributor.authorNegrier, Philippe
dc.contributor.authorTamarit Mur, José Luis
dc.contributor.authorBarrio Casado, María del
dc.contributor.authorMondieig, Denise
dc.contributor.otherUniversitat Politècnica de Catalunya. Departament de Física i Enginyeria Nuclear
dc.date.accessioned2013-04-17T10:40:00Z
dc.date.created2013-02-06
dc.date.issued2013-02-06
dc.identifier.citationNegrier, P. [et al.]. Polymorphism in halogen-ethane derivatives: CCl3-CCl3 and ClF2C-CF2Cl. "Crystal growth and design", 06 Febrer 2013, vol. 13, núm. 2, p. 782-791.
dc.identifier.issn1528-7483
dc.identifier.urihttp://hdl.handle.net/2117/18850
dc.description.abstractThe polymorphism of hexachloroethane, Cl3C−CCl3, has been reinvestigated by means of X-ray and neutron scattering. The long time unknown structure of the intermediate phase II of Cl3C−CCl3 has been determined as monoclinic C2/m, with lattice parameters a = 17.9835(21) Å, b = 10.3642(11) Å, c = 6.3014(8) Å, and β = 94.410(5)° at 323 K, Z = 6. The polymorphism of 1,2-dichloro-1,1,2,2-tetrafluoro-ethane, ClF2C−CF2Cl, has also been investigated, and the structure of the intermediate phase II has been found to be orthorhombic (Cmca, Z = 4) with lattice parameters a = 6.305(4) Å, b = 10.177(12) Å, c = 8.714 (7) Å. The high-temperature phase I of ClF2C− CF2Cl has been found to be isomorphous with the orientationally disordered phase I of Cl3C−CCl3 (body centered cubic, Im3̅m), a consequence of the pseudospherical molecular shape of halogeno-ethane C2X6−nYn (X = Cl, Y = F) molecular crystals. The similarities of the intricate disorder of the intermediate phases II of both Cl3C−CCl3 and ClF2C−CF2Cl compounds are analyzed, together with the influence of the conformational disorder appearing in the last compound.
dc.format.extent10 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::Física::Física molecular
dc.subjectÀrees temàtiques de la UPC::Enginyeria química::Química física::Estructura molecular
dc.subject.lcshMolecular crystals
dc.subject.lcshX-ray crystallography
dc.titlePolymorphism in halogen-ethane derivatives: CCl3-CCl3 and ClF2C-CF2Cl
dc.typeArticle
dc.subject.lemacFísica molecular
dc.subject.lemacRaigs X -- Cristal•lografia
dc.contributor.groupUniversitat Politècnica de Catalunya. GCM - Grup de Caracterització de Materials
dc.identifier.doi10.1021/cg301498f
dc.relation.publisherversionhttp://pubs.acs.org/doi/full/10.1021/cg301498f
dc.rights.accessRestricted access - publisher's policy
local.identifier.drac11857290
dc.description.versionPostprint (published version)
dc.date.lift10000-01-01
local.citation.authorNegrier, P.; Tamarit, J.; Del Barrio, M.; Mondieig, D.
local.citation.publicationNameCrystal growth and design
local.citation.volume13
local.citation.number2
local.citation.startingPage782
local.citation.endingPage791


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