Conformational Polymorphism: The Missing Phase of 1,1,2,2-Tetrachloroethane (Cl2HC-CHCl2)
| hal.structure.identifier | Laboratoire Ondes et Matière d'Aquitaine [LOMA] | |
| dc.contributor.author | NÉGRIER, Philippe | |
| hal.structure.identifier | Departament de Fisica i Enginyeria Nuclear [UPC, Barcelone] [ETSEIB] | |
| dc.contributor.author | BARRIO, María | |
| hal.structure.identifier | Departament de Fisica i Enginyeria Nuclear [UPC, Barcelone] [ETSEIB] | |
| dc.contributor.author | TAMARIT, Josep Ll | |
| hal.structure.identifier | Laboratoire Ondes et Matière d'Aquitaine [LOMA] | |
| dc.contributor.author | MONDIEIG, Denise | |
| hal.structure.identifier | Facultad de Matemática, Astronomía y Física [Cordoba] [FaMAF] | |
| hal.structure.identifier | Instituto de Fisica Enrique Gaviola [IFEG] | |
| dc.contributor.author | ZURIAGA, M. J. | |
| hal.structure.identifier | Facultad de Matemática, Astronomía y Física [Cordoba] [FaMAF] | |
| hal.structure.identifier | Instituto de Fisica Enrique Gaviola [IFEG] | |
| dc.contributor.author | PEREZ, S. C. | |
| dc.date.created | 2013-02-10 | |
| dc.date.issued | 2013 | |
| dc.identifier.issn | 1528-7483 | |
| dc.description.abstractEn | Halogenoethane 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.iso | en | |
| dc.publisher | American Chemical Society | |
| dc.rights.uri | http://creativecommons.org/licenses/by-sa/ | |
| dc.title.en | Conformational Polymorphism: The Missing Phase of 1,1,2,2-Tetrachloroethane (Cl2HC-CHCl2) | |
| dc.type | Article de revue | |
| dc.identifier.doi | 10.1021/cg400235b | |
| dc.subject.hal | Chimie/Cristallographie | |
| bordeaux.journal | Crystal Growth & Design | |
| bordeaux.page | 2143-2148 | |
| bordeaux.volume | 13 | |
| bordeaux.issue | 5 | |
| bordeaux.peerReviewed | oui | |
| hal.identifier | hal-00834309 | |
| hal.version | 1 | |
| hal.popular | non | |
| hal.audience | Internationale | |
| hal.origin.link | https://hal.archives-ouvertes.fr//hal-00834309v1 | |
| bordeaux.COinS | ctx_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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