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Conformational Polymorphism: The Missing Phase of 1,1,2,2-Tetrachloroethane (Cl2HC-CHCl2)

hal.structure.identifierLaboratoire Ondes et Matière d'Aquitaine [LOMA]
dc.contributor.authorNÉGRIER, Philippe
hal.structure.identifierDepartament de Fisica i Enginyeria Nuclear [UPC, Barcelone] [ETSEIB]
dc.contributor.authorBARRIO, María
hal.structure.identifierDepartament de Fisica i Enginyeria Nuclear [UPC, Barcelone] [ETSEIB]
dc.contributor.authorTAMARIT, Josep Ll
hal.structure.identifierLaboratoire Ondes et Matière d'Aquitaine [LOMA]
dc.contributor.authorMONDIEIG, Denise
hal.structure.identifierFacultad de Matemática, Astronomía y Física [Cordoba] [FaMAF]
hal.structure.identifierInstituto de Fisica Enrique Gaviola [IFEG]
dc.contributor.authorZURIAGA, M. J.
hal.structure.identifierFacultad de Matemática, Astronomía y Física [Cordoba] [FaMAF]
hal.structure.identifierInstituto de Fisica Enrique Gaviola [IFEG]
dc.contributor.authorPEREZ, S. C.
dc.date.created2013-02-10
dc.date.issued2013
dc.identifier.issn1528-7483
dc.description.abstractEnHalogenoethane 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 ß (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 P2-1/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 gama, for which the two gauche conformers show up in the asymmetric unit of a monoclinic (space group P2-1/c with Z = 8 and Z' = 2) structure. The new phase gama 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.language.isoen
dc.publisherAmerican Chemical Society
dc.rights.urihttp://creativecommons.org/licenses/by-sa/
dc.title.enConformational Polymorphism: The Missing Phase of 1,1,2,2-Tetrachloroethane (Cl2HC-CHCl2)
dc.typeArticle de revue
dc.identifier.doi10.1021/cg400235b
dc.subject.halChimie/Cristallographie
bordeaux.journalCrystal Growth & Design
bordeaux.page2143-2148
bordeaux.volume13
bordeaux.issue5
bordeaux.peerReviewedoui
hal.identifierhal-00834309
hal.version1
hal.popularnon
hal.audienceInternationale
hal.origin.linkhttps://hal.archives-ouvertes.fr//hal-00834309v1
bordeaux.COinSctx_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.jtitle=Crystal%20Growth%20&%20Design&rft.date=2013&rft.volume=13&rft.issue=5&rft.spage=2143-2148&rft.epage=2143-2148&rft.eissn=1528-7483&rft.issn=1528-7483&rft.au=N%C3%89GRIER,%20Philippe&BARRIO,%20Mar%C3%ADa&TAMARIT,%20Josep%20Ll&MONDIEIG,%20Denise&ZURIAGA,%20M.%20J.&rft.genre=article


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