Orientational relaxations in solid (1,1,2,2)tetrachloroethane

Autores
Tripathi, P.; Mitsari, E.; Romanini, M.; Serra, Pablo; Tamarit, J. Ll.; Zuriaga, Mariano Jose; Macovez, R.
Año de publicación
2016
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
We employ dielectric spectroscopy and molecular dynamic simulations to investigate the dipolar dynamics in the orientationally disordered solid phase of (1,1,2,2)tetrachloroethane. Three distinct orientational dynamics are observed as separate dielectric loss features, all characterized by a simply activated temperature dependence. The slower process, associated to a glassy transition at 156 ± 1 K, corresponds to a cooperative motion by which each molecule rotates by 180° around the molecular symmetry axis through an intermediate state in which the symmetry axis is oriented roughly orthogonally to the initial and final states. Of the other two dipolar relaxations, the intermediate one is the Johari-Goldstein precursor relaxation of the cooperative dynamics, while the fastest process corresponds to an orientational fluctuation of single molecules into a higher-energy orientation. The Kirkwood correlation factor of the cooperative relaxation is of the order of one tenth, indicating that the molecular dipoles maintain on average a strong antiparallel alignment during their collective motion. These findings show that the combination of dielectric spectroscopy and molecular simulations allows studying in great detail the orientational dynamics in molecular solids.
Fil: Tripathi, P.. Universidad Politécnica de Catalunya. Departament de Física Enginyeria; España
Fil: Mitsari, E.. Universidad Politécnica de Catalunya. Departament de Física Enginyeria; España
Fil: Romanini, M.. Universidad Politécnica de Catalunya. Departament de Física Enginyeria; España
Fil: Serra, Pablo. 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. Universidad Nacional de Córdoba. Facultad de Matemática, Astronomía y Física; Argentina
Fil: Tamarit, J. Ll.. Universidad Politécnica de Catalunya. Departament de Física Enginyeria; España
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. Universidad Nacional de Córdoba. Facultad de Matemática, Astronomía y Física; Argentina
Fil: Macovez, R.. Universidad Politécnica de Catalunya. Departament de Física Enginyeria; España
Materia
DESORDEN
DIELECTRICOS
MDS
JOHARI-GOLDSTEIN
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:11336/185935
Acceder
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network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Orientational relaxations in solid (1,1,2,2)tetrachloroethaneTripathi, P.Mitsari, E.Romanini, M.Serra, PabloTamarit, J. Ll.Zuriaga, Mariano JoseMacovez, R.DESORDENDIELECTRICOSMDSJOHARI-GOLDSTEINhttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1We employ dielectric spectroscopy and molecular dynamic simulations to investigate the dipolar dynamics in the orientationally disordered solid phase of (1,1,2,2)tetrachloroethane. Three distinct orientational dynamics are observed as separate dielectric loss features, all characterized by a simply activated temperature dependence. The slower process, associated to a glassy transition at 156 ± 1 K, corresponds to a cooperative motion by which each molecule rotates by 180° around the molecular symmetry axis through an intermediate state in which the symmetry axis is oriented roughly orthogonally to the initial and final states. Of the other two dipolar relaxations, the intermediate one is the Johari-Goldstein precursor relaxation of the cooperative dynamics, while the fastest process corresponds to an orientational fluctuation of single molecules into a higher-energy orientation. The Kirkwood correlation factor of the cooperative relaxation is of the order of one tenth, indicating that the molecular dipoles maintain on average a strong antiparallel alignment during their collective motion. These findings show that the combination of dielectric spectroscopy and molecular simulations allows studying in great detail the orientational dynamics in molecular solids.Fil: Tripathi, P.. Universidad Politécnica de Catalunya. Departament de Física Enginyeria; EspañaFil: Mitsari, E.. Universidad Politécnica de Catalunya. Departament de Física Enginyeria; EspañaFil: Romanini, M.. Universidad Politécnica de Catalunya. Departament de Física Enginyeria; EspañaFil: Serra, Pablo. 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. Universidad Nacional de Córdoba. Facultad de Matemática, Astronomía y Física; ArgentinaFil: Tamarit, J. Ll.. Universidad Politécnica de Catalunya. Departament de Física Enginyeria; EspañaFil: 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. Universidad Nacional de Córdoba. Facultad de Matemática, Astronomía y Física; ArgentinaFil: Macovez, R.. Universidad Politécnica de Catalunya. Departament de Física Enginyeria; EspañaAmerican Institute of Physics2016-04-27info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/185935Tripathi, P.; Mitsari, E.; Romanini, M.; Serra, Pablo; Tamarit, J. Ll.; et al.; Orientational relaxations in solid (1,1,2,2)tetrachloroethane; American Institute of Physics; Journal of Chemical Physics; 144; 16; 27-4-2016; 1-80021-96061089-7690CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/http://scitation.aip.org/content/aip/journal/jcp/144/16/10.1063/1.4947477info:eu-repo/semantics/altIdentifier/doi/10.1063/1.4947477info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-10-15T14:46:18Zoai:ri.conicet.gov.ar:11336/185935instacron: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 14:46:18.55CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Orientational relaxations in solid (1,1,2,2)tetrachloroethane
title Orientational relaxations in solid (1,1,2,2)tetrachloroethane
spellingShingle Orientational relaxations in solid (1,1,2,2)tetrachloroethane
Tripathi, P.
DESORDEN
DIELECTRICOS
MDS
JOHARI-GOLDSTEIN
title_short Orientational relaxations in solid (1,1,2,2)tetrachloroethane
title_full Orientational relaxations in solid (1,1,2,2)tetrachloroethane
title_fullStr Orientational relaxations in solid (1,1,2,2)tetrachloroethane
title_full_unstemmed Orientational relaxations in solid (1,1,2,2)tetrachloroethane
title_sort Orientational relaxations in solid (1,1,2,2)tetrachloroethane
dc.creator.none.fl_str_mv Tripathi, P.
Mitsari, E.
Romanini, M.
Serra, Pablo
Tamarit, J. Ll.
Zuriaga, Mariano Jose
Macovez, R.
author Tripathi, P.
author_facet Tripathi, P.
Mitsari, E.
Romanini, M.
Serra, Pablo
Tamarit, J. Ll.
Zuriaga, Mariano Jose
Macovez, R.
author_role author
author2 Mitsari, E.
Romanini, M.
Serra, Pablo
Tamarit, J. Ll.
Zuriaga, Mariano Jose
Macovez, R.
author2_role author
author
author
author
author
author
dc.subject.none.fl_str_mv DESORDEN
DIELECTRICOS
MDS
JOHARI-GOLDSTEIN
topic DESORDEN
DIELECTRICOS
MDS
JOHARI-GOLDSTEIN
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.3
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv We employ dielectric spectroscopy and molecular dynamic simulations to investigate the dipolar dynamics in the orientationally disordered solid phase of (1,1,2,2)tetrachloroethane. Three distinct orientational dynamics are observed as separate dielectric loss features, all characterized by a simply activated temperature dependence. The slower process, associated to a glassy transition at 156 ± 1 K, corresponds to a cooperative motion by which each molecule rotates by 180° around the molecular symmetry axis through an intermediate state in which the symmetry axis is oriented roughly orthogonally to the initial and final states. Of the other two dipolar relaxations, the intermediate one is the Johari-Goldstein precursor relaxation of the cooperative dynamics, while the fastest process corresponds to an orientational fluctuation of single molecules into a higher-energy orientation. The Kirkwood correlation factor of the cooperative relaxation is of the order of one tenth, indicating that the molecular dipoles maintain on average a strong antiparallel alignment during their collective motion. These findings show that the combination of dielectric spectroscopy and molecular simulations allows studying in great detail the orientational dynamics in molecular solids.
Fil: Tripathi, P.. Universidad Politécnica de Catalunya. Departament de Física Enginyeria; España
Fil: Mitsari, E.. Universidad Politécnica de Catalunya. Departament de Física Enginyeria; España
Fil: Romanini, M.. Universidad Politécnica de Catalunya. Departament de Física Enginyeria; España
Fil: Serra, Pablo. 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. Universidad Nacional de Córdoba. Facultad de Matemática, Astronomía y Física; Argentina
Fil: Tamarit, J. Ll.. Universidad Politécnica de Catalunya. Departament de Física Enginyeria; España
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. Universidad Nacional de Córdoba. Facultad de Matemática, Astronomía y Física; Argentina
Fil: Macovez, R.. Universidad Politécnica de Catalunya. Departament de Física Enginyeria; España
description We employ dielectric spectroscopy and molecular dynamic simulations to investigate the dipolar dynamics in the orientationally disordered solid phase of (1,1,2,2)tetrachloroethane. Three distinct orientational dynamics are observed as separate dielectric loss features, all characterized by a simply activated temperature dependence. The slower process, associated to a glassy transition at 156 ± 1 K, corresponds to a cooperative motion by which each molecule rotates by 180° around the molecular symmetry axis through an intermediate state in which the symmetry axis is oriented roughly orthogonally to the initial and final states. Of the other two dipolar relaxations, the intermediate one is the Johari-Goldstein precursor relaxation of the cooperative dynamics, while the fastest process corresponds to an orientational fluctuation of single molecules into a higher-energy orientation. The Kirkwood correlation factor of the cooperative relaxation is of the order of one tenth, indicating that the molecular dipoles maintain on average a strong antiparallel alignment during their collective motion. These findings show that the combination of dielectric spectroscopy and molecular simulations allows studying in great detail the orientational dynamics in molecular solids.
publishDate 2016
dc.date.none.fl_str_mv 2016-04-27
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/11336/185935
Tripathi, P.; Mitsari, E.; Romanini, M.; Serra, Pablo; Tamarit, J. Ll.; et al.; Orientational relaxations in solid (1,1,2,2)tetrachloroethane; American Institute of Physics; Journal of Chemical Physics; 144; 16; 27-4-2016; 1-8
0021-9606
1089-7690
CONICET Digital
CONICET
url http://hdl.handle.net/11336/185935
identifier_str_mv Tripathi, P.; Mitsari, E.; Romanini, M.; Serra, Pablo; Tamarit, J. Ll.; et al.; Orientational relaxations in solid (1,1,2,2)tetrachloroethane; American Institute of Physics; Journal of Chemical Physics; 144; 16; 27-4-2016; 1-8
0021-9606
1089-7690
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/url/http://scitation.aip.org/content/aip/journal/jcp/144/16/10.1063/1.4947477
info:eu-repo/semantics/altIdentifier/doi/10.1063/1.4947477
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
dc.publisher.none.fl_str_mv American Institute of Physics
publisher.none.fl_str_mv American Institute of Physics
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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