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dc.contributor.authorBarrio Casado, María del
dc.contributor.authorTamarit Mur, José Luis
dc.contributor.authorMondieig, Denise
dc.contributor.authorZuriaga, Jose Mariano
dc.contributor.authorPerez, Silvina C.
dc.contributor.authorNegrier, Philippe
dc.contributor.otherUniversitat Politècnica de Catalunya. Departament de Física i Enginyeria Nuclear
dc.date.accessioned2013-07-19T08:39:12Z
dc.date.created2013-05
dc.date.issued2013-05
dc.identifier.citationDel Barrio, M. [et al.]. Conformational polymorphism: The missing phase of 1,1,2,2-tetrachloroethane (Cl2HC-CHCl2). "Crystal growth and design", Maig 2013, vol. 13, núm. 5, p. 2143-2148.
dc.identifier.issn1528-7483
dc.identifier.urihttp://hdl.handle.net/2117/19977
dc.description.abstractHalogenoethane derivatives are known to exhibit different polymorphs involving a different translational, orientational, and conformational order. The 1,1,2,2- tetrachloroethane (Cl2HC−CHCl2) exhibits a normal pressure orthorhombic phase β (space group P212121 with Z = 8 and Z′ = 2), formed by molecules with one of the two gauche conformations. At high pressure, the stable polymorph is known to be monoclinic (space group P21/c, with Z = 2 and Z′ = 0.5), phase α, in which only the trans conformer appears. In this work, we demonstrate the existence of a normal pressure metastable polymorph, phase γ, for which the two gauche conformers show up in the asymmetric unit of a monoclinic (space group P21/c with Z = 8 and Z′ = 2) structure. The new phase γ is obtained by recrystallization upon heating the glass obtained after quench of the melt. It displays shorter type II Cl···Cl contacts than the high-pressure phase α due to attractive and directional interactions.
dc.format.extent6 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.lcshCrystallization
dc.subject.lcshTetrachloroethane
dc.subject.otherConformations
dc.subject.otherTetrachloroethane
dc.subject.otherCrystalline Solids
dc.titleConformational polymorphism: The missing phase of 1,1,2,2-tetrachloroethane (Cl2HC-CHCl2)
dc.typeArticle
dc.subject.lemacFísica de l'estat sòlid
dc.contributor.groupUniversitat Politècnica de Catalunya. GCM - Grup de Caracterització de Materials
dc.identifier.doi10.1021/cg400235b
dc.rights.accessRestricted access - publisher's policy
local.identifier.drac12631413
dc.description.versionPostprint (published version)
dc.date.lift10000-01-01
local.citation.authorDel Barrio, M.; Tamarit, J.; Mondieig, D.; Zuriaga, J.; Perez, S.; Negrier, P.
local.citation.publicationNameCrystal growth and design
local.citation.volume13
local.citation.number5
local.citation.startingPage2143
local.citation.endingPage2148


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Attribution-NonCommercial-NoDerivs 3.0 Spain
Except where otherwise noted, content on this work is licensed under a Creative Commons license : Attribution-NonCommercial-NoDerivs 3.0 Spain