Structure and dynamics of the Crystalline Stable Phase of 2-Chlorothiophene

Autores
Romanini, Michela; Negrier, Philippe; Barrio, María; Mondieig, Denise; Serra, Pablo; Zuriaga, Mariano Jose; Macovez, Roberto; Tamarit, Josep-Lluís
Año de publicación
2019
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
The dynamics of a simple and rigid molecule (2-chlorothiophene) has been studied by means of broadband dielectric spectroscopy (BDS) within the low-temperature stable crystalline phase, whose structure has been determined by means of powder X-ray diffraction (PXRD) measurements. The triclinic P1 structure consists of two molecules per asymmetric unit (Z′ = 2) with site occupancies of 80:20 and 60:40 for each molecule of the asymmetric unit. Such a statistical intrinsic disorder is associated with two dynamical relaxation processes corresponding respectively to out-of-plane relaxations around the C-Cl 2-fold molecular axis and in-plane reorientational motions as proposed previously (Fujiromi and Oguni, J. Phys. Chem. Solids 1993, 54, 437-612). The PXRD and BDS measurements allow rationalizing published nuclear quadrupole resonance data. We show that only the concurrent use of different experimental techniques provides the answer to a complicated case of orientational molecular dynamics in the solid state.
Fil: Romanini, Michela. Universidad Politécnica de Catalunya. Departament de Física Enginyeria; España
Fil: Negrier, Philippe. Universite de Bordeaux; Francia
Fil: Barrio, María. Universidad Politécnica de Catalunya. Departament de Física Enginyeria; España
Fil: Mondieig, Denise. Universite de Bordeaux; Francia
Fil: Serra, Pablo. Universidad Nacional de Córdoba. Facultad de Matemática, Astronomía y Física; Argentina. 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: Zuriaga, Mariano Jose. Universidad Nacional de Córdoba. Facultad de Matemática, Astronomía y Física; Argentina. 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: Macovez, Roberto. Universidad Politécnica de Catalunya. Departament de Física Enginyeria; España
Fil: Tamarit, Josep-Lluís. Universidad Politécnica de Catalunya. Departament de Física Enginyeria; España
Materia
DISORDER
STRUCTURE
DYNAMICS
GLASSY
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:11336/125706
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/125706
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network_name_str CONICET Digital (CONICET)
spelling Structure and dynamics of the Crystalline Stable Phase of 2-ChlorothiopheneRomanini, MichelaNegrier, PhilippeBarrio, MaríaMondieig, DeniseSerra, PabloZuriaga, Mariano JoseMacovez, RobertoTamarit, Josep-LluísDISORDERSTRUCTUREDYNAMICSGLASSYhttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1The dynamics of a simple and rigid molecule (2-chlorothiophene) has been studied by means of broadband dielectric spectroscopy (BDS) within the low-temperature stable crystalline phase, whose structure has been determined by means of powder X-ray diffraction (PXRD) measurements. The triclinic P1 structure consists of two molecules per asymmetric unit (Z′ = 2) with site occupancies of 80:20 and 60:40 for each molecule of the asymmetric unit. Such a statistical intrinsic disorder is associated with two dynamical relaxation processes corresponding respectively to out-of-plane relaxations around the C-Cl 2-fold molecular axis and in-plane reorientational motions as proposed previously (Fujiromi and Oguni, J. Phys. Chem. Solids 1993, 54, 437-612). The PXRD and BDS measurements allow rationalizing published nuclear quadrupole resonance data. We show that only the concurrent use of different experimental techniques provides the answer to a complicated case of orientational molecular dynamics in the solid state.Fil: Romanini, Michela. Universidad Politécnica de Catalunya. Departament de Física Enginyeria; EspañaFil: Negrier, Philippe. Universite de Bordeaux; FranciaFil: Barrio, María. Universidad Politécnica de Catalunya. Departament de Física Enginyeria; EspañaFil: Mondieig, Denise. Universite de Bordeaux; FranciaFil: Serra, Pablo. Universidad Nacional de Córdoba. Facultad de Matemática, Astronomía y Física; Argentina. 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: Zuriaga, Mariano Jose. Universidad Nacional de Córdoba. Facultad de Matemática, Astronomía y Física; Argentina. 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: Macovez, Roberto. Universidad Politécnica de Catalunya. Departament de Física Enginyeria; EspañaFil: Tamarit, Josep-Lluís. Universidad Politécnica de Catalunya. Departament de Física Enginyeria; EspañaAmerican Chemical Society2019-09-23info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/125706Romanini, Michela; Negrier, Philippe; Barrio, María; Mondieig, Denise; Serra, Pablo; et al.; Structure and dynamics of the Crystalline Stable Phase of 2-Chlorothiophene; American Chemical Society; Crystal Growth & Design; 19; 11; 23-9-2019; 6405-64131528-74831528-7505CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/https://pubs.acs.org/doi/10.1021/acs.cgd.9b00871info:eu-repo/semantics/altIdentifier/doi/10.1021/acs.cgd.9b00871info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-10-22T12:03:11Zoai:ri.conicet.gov.ar:11336/125706instacron: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:34982025-10-22 12:03:12.077CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Structure and dynamics of the Crystalline Stable Phase of 2-Chlorothiophene
title Structure and dynamics of the Crystalline Stable Phase of 2-Chlorothiophene
spellingShingle Structure and dynamics of the Crystalline Stable Phase of 2-Chlorothiophene
Romanini, Michela
DISORDER
STRUCTURE
DYNAMICS
GLASSY
title_short Structure and dynamics of the Crystalline Stable Phase of 2-Chlorothiophene
title_full Structure and dynamics of the Crystalline Stable Phase of 2-Chlorothiophene
title_fullStr Structure and dynamics of the Crystalline Stable Phase of 2-Chlorothiophene
title_full_unstemmed Structure and dynamics of the Crystalline Stable Phase of 2-Chlorothiophene
title_sort Structure and dynamics of the Crystalline Stable Phase of 2-Chlorothiophene
dc.creator.none.fl_str_mv Romanini, Michela
Negrier, Philippe
Barrio, María
Mondieig, Denise
Serra, Pablo
Zuriaga, Mariano Jose
Macovez, Roberto
Tamarit, Josep-Lluís
author Romanini, Michela
author_facet Romanini, Michela
Negrier, Philippe
Barrio, María
Mondieig, Denise
Serra, Pablo
Zuriaga, Mariano Jose
Macovez, Roberto
Tamarit, Josep-Lluís
author_role author
author2 Negrier, Philippe
Barrio, María
Mondieig, Denise
Serra, Pablo
Zuriaga, Mariano Jose
Macovez, Roberto
Tamarit, Josep-Lluís
author2_role author
author
author
author
author
author
author
dc.subject.none.fl_str_mv DISORDER
STRUCTURE
DYNAMICS
GLASSY
topic DISORDER
STRUCTURE
DYNAMICS
GLASSY
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.3
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv The dynamics of a simple and rigid molecule (2-chlorothiophene) has been studied by means of broadband dielectric spectroscopy (BDS) within the low-temperature stable crystalline phase, whose structure has been determined by means of powder X-ray diffraction (PXRD) measurements. The triclinic P1 structure consists of two molecules per asymmetric unit (Z′ = 2) with site occupancies of 80:20 and 60:40 for each molecule of the asymmetric unit. Such a statistical intrinsic disorder is associated with two dynamical relaxation processes corresponding respectively to out-of-plane relaxations around the C-Cl 2-fold molecular axis and in-plane reorientational motions as proposed previously (Fujiromi and Oguni, J. Phys. Chem. Solids 1993, 54, 437-612). The PXRD and BDS measurements allow rationalizing published nuclear quadrupole resonance data. We show that only the concurrent use of different experimental techniques provides the answer to a complicated case of orientational molecular dynamics in the solid state.
Fil: Romanini, Michela. Universidad Politécnica de Catalunya. Departament de Física Enginyeria; España
Fil: Negrier, Philippe. Universite de Bordeaux; Francia
Fil: Barrio, María. Universidad Politécnica de Catalunya. Departament de Física Enginyeria; España
Fil: Mondieig, Denise. Universite de Bordeaux; Francia
Fil: Serra, Pablo. Universidad Nacional de Córdoba. Facultad de Matemática, Astronomía y Física; Argentina. 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: Zuriaga, Mariano Jose. Universidad Nacional de Córdoba. Facultad de Matemática, Astronomía y Física; Argentina. 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: Macovez, Roberto. Universidad Politécnica de Catalunya. Departament de Física Enginyeria; España
Fil: Tamarit, Josep-Lluís. Universidad Politécnica de Catalunya. Departament de Física Enginyeria; España
description The dynamics of a simple and rigid molecule (2-chlorothiophene) has been studied by means of broadband dielectric spectroscopy (BDS) within the low-temperature stable crystalline phase, whose structure has been determined by means of powder X-ray diffraction (PXRD) measurements. The triclinic P1 structure consists of two molecules per asymmetric unit (Z′ = 2) with site occupancies of 80:20 and 60:40 for each molecule of the asymmetric unit. Such a statistical intrinsic disorder is associated with two dynamical relaxation processes corresponding respectively to out-of-plane relaxations around the C-Cl 2-fold molecular axis and in-plane reorientational motions as proposed previously (Fujiromi and Oguni, J. Phys. Chem. Solids 1993, 54, 437-612). The PXRD and BDS measurements allow rationalizing published nuclear quadrupole resonance data. We show that only the concurrent use of different experimental techniques provides the answer to a complicated case of orientational molecular dynamics in the solid state.
publishDate 2019
dc.date.none.fl_str_mv 2019-09-23
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/11336/125706
Romanini, Michela; Negrier, Philippe; Barrio, María; Mondieig, Denise; Serra, Pablo; et al.; Structure and dynamics of the Crystalline Stable Phase of 2-Chlorothiophene; American Chemical Society; Crystal Growth & Design; 19; 11; 23-9-2019; 6405-6413
1528-7483
1528-7505
CONICET Digital
CONICET
url http://hdl.handle.net/11336/125706
identifier_str_mv Romanini, Michela; Negrier, Philippe; Barrio, María; Mondieig, Denise; Serra, Pablo; et al.; Structure and dynamics of the Crystalline Stable Phase of 2-Chlorothiophene; American Chemical Society; Crystal Growth & Design; 19; 11; 23-9-2019; 6405-6413
1528-7483
1528-7505
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/url/https://pubs.acs.org/doi/10.1021/acs.cgd.9b00871
info:eu-repo/semantics/altIdentifier/doi/10.1021/acs.cgd.9b00871
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
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 12.982451

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