Conformational Polymorphism: the missing phase of 1,1,2,2-Tetrachloroethane (Cl2HC–CHCl2)

Autores
Negrier, Ph.; Barrio, M.; Tamarit, J. L.; Mondieig, D.; Zuriaga, Mariano Jose; Perez, Silvina Claudia
Año de publicación
2013
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
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 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.
Fil: Negrier, Ph.. Universite de Bordeaux; Francia
Fil: Barrio, M.. Universidad Politecnica de Catalunya; España
Fil: Tamarit, J. L.. Universidad Politecnica de Catalunya; España
Fil: Mondieig, D.. Universite de Bordeaux; Francia
Fil: Zuriaga, Mariano Jose. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Física Enrique Gaviola. Universidad Nacional de Córdoba. Instituto de Física Enrique Gaviola; Argentina
Fil: Perez, Silvina Claudia. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Física Enrique Gaviola. Universidad Nacional de Córdoba. Instituto de Física Enrique Gaviola; Argentina
Materia
Polymorphism
Conformational Order
Crystal Structure
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/25428
Acceder
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network_name_str CONICET Digital (CONICET)
spelling Conformational Polymorphism: the missing phase of 1,1,2,2-Tetrachloroethane (Cl2HC–CHCl2)Negrier, Ph.Barrio, M.Tamarit, J. L.Mondieig, D.Zuriaga, Mariano JosePerez, Silvina ClaudiaPolymorphismConformational OrderCrystal Structurehttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1Halogenoethane 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.Fil: Negrier, Ph.. Universite de Bordeaux; FranciaFil: Barrio, M.. Universidad Politecnica de Catalunya; EspañaFil: Tamarit, J. L.. Universidad Politecnica de Catalunya; EspañaFil: Mondieig, D.. Universite de Bordeaux; FranciaFil: Zuriaga, Mariano Jose. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Física Enrique Gaviola. Universidad Nacional de Córdoba. Instituto de Física Enrique Gaviola; ArgentinaFil: Perez, Silvina Claudia. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Física Enrique Gaviola. Universidad Nacional de Córdoba. Instituto de Física Enrique Gaviola; ArgentinaAmerican Chemical Society2013-04info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/25428Negrier, Ph.; Barrio, M.; Tamarit, J. L.; Mondieig, D.; Zuriaga, Mariano Jose; et al.; Conformational Polymorphism: the missing phase of 1,1,2,2-Tetrachloroethane (Cl2HC–CHCl2); American Chemical Society; Crystal Growth & Design; 13; 5; 4-2013; 2143-21481528-7483CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.1021/cg400235binfo:eu-repo/semantics/altIdentifier/url/http://pubs.acs.org/doi/abs/10.1021/cg400235binfo:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-10-15T15:33:51Zoai:ri.conicet.gov.ar:11336/25428instacron:CONICETInstitucionalhttp://ri.conicet.gov.ar/Organismo científico-tecnológicoNo correspondehttp://ri.conicet.gov.ar/oai/requestdasensio@conicet.gov.ar; lcarlino@conicet.gov.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:34982025-10-15 15:33:51.826CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Conformational Polymorphism: the missing phase of 1,1,2,2-Tetrachloroethane (Cl2HC–CHCl2)
title Conformational Polymorphism: the missing phase of 1,1,2,2-Tetrachloroethane (Cl2HC–CHCl2)
spellingShingle Conformational Polymorphism: the missing phase of 1,1,2,2-Tetrachloroethane (Cl2HC–CHCl2)
Negrier, Ph.
Polymorphism
Conformational Order
Crystal Structure
title_short Conformational Polymorphism: the missing phase of 1,1,2,2-Tetrachloroethane (Cl2HC–CHCl2)
title_full Conformational Polymorphism: the missing phase of 1,1,2,2-Tetrachloroethane (Cl2HC–CHCl2)
title_fullStr Conformational Polymorphism: the missing phase of 1,1,2,2-Tetrachloroethane (Cl2HC–CHCl2)
title_full_unstemmed Conformational Polymorphism: the missing phase of 1,1,2,2-Tetrachloroethane (Cl2HC–CHCl2)
title_sort Conformational Polymorphism: the missing phase of 1,1,2,2-Tetrachloroethane (Cl2HC–CHCl2)
dc.creator.none.fl_str_mv Negrier, Ph.
Barrio, M.
Tamarit, J. L.
Mondieig, D.
Zuriaga, Mariano Jose
Perez, Silvina Claudia
author Negrier, Ph.
author_facet Negrier, Ph.
Barrio, M.
Tamarit, J. L.
Mondieig, D.
Zuriaga, Mariano Jose
Perez, Silvina Claudia
author_role author
author2 Barrio, M.
Tamarit, J. L.
Mondieig, D.
Zuriaga, Mariano Jose
Perez, Silvina Claudia
author2_role author
author
author
author
author
dc.subject.none.fl_str_mv Polymorphism
Conformational Order
Crystal Structure
topic Polymorphism
Conformational Order
Crystal Structure
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.3
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv 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 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.
Fil: Negrier, Ph.. Universite de Bordeaux; Francia
Fil: Barrio, M.. Universidad Politecnica de Catalunya; España
Fil: Tamarit, J. L.. Universidad Politecnica de Catalunya; España
Fil: Mondieig, D.. Universite de Bordeaux; Francia
Fil: Zuriaga, Mariano Jose. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Física Enrique Gaviola. Universidad Nacional de Córdoba. Instituto de Física Enrique Gaviola; Argentina
Fil: Perez, Silvina Claudia. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Física Enrique Gaviola. Universidad Nacional de Córdoba. Instituto de Física Enrique Gaviola; Argentina
description 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 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.
publishDate 2013
dc.date.none.fl_str_mv 2013-04
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
http://purl.org/coar/resource_type/c_6501
info:ar-repo/semantics/articulo
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/11336/25428
Negrier, Ph.; Barrio, M.; Tamarit, J. L.; Mondieig, D.; Zuriaga, Mariano Jose; et al.; Conformational Polymorphism: the missing phase of 1,1,2,2-Tetrachloroethane (Cl2HC–CHCl2); American Chemical Society; Crystal Growth & Design; 13; 5; 4-2013; 2143-2148
1528-7483
CONICET Digital
CONICET
url http://hdl.handle.net/11336/25428
identifier_str_mv Negrier, Ph.; Barrio, M.; Tamarit, J. L.; Mondieig, D.; Zuriaga, Mariano Jose; et al.; Conformational Polymorphism: the missing phase of 1,1,2,2-Tetrachloroethane (Cl2HC–CHCl2); American Chemical Society; Crystal Growth & Design; 13; 5; 4-2013; 2143-2148
1528-7483
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/10.1021/cg400235b
info:eu-repo/semantics/altIdentifier/url/http://pubs.acs.org/doi/abs/10.1021/cg400235b
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
application/pdf
application/pdf
dc.publisher.none.fl_str_mv American Chemical Society
publisher.none.fl_str_mv American Chemical Society
dc.source.none.fl_str_mv reponame:CONICET Digital (CONICET)
instname:Consejo Nacional de Investigaciones Científicas y Técnicas
reponame_str CONICET Digital (CONICET)
collection CONICET Digital (CONICET)
instname_str Consejo Nacional de Investigaciones Científicas y Técnicas
repository.name.fl_str_mv CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicas
repository.mail.fl_str_mv dasensio@conicet.gov.ar; lcarlino@conicet.gov.ar
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score 13.22299

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