The 1H NMR spectrum of pyrazole in a nematic phase

Autores
Provasi, Patricio Federico; Jimeno, María Luisa; Alkorta, Ibon; Reviriego, Felipe; Elguero, José; Jokisaarid, Jukka
Año de publicación
2016
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
The experimental 1H nuclear magnetic resonance (NMR) spectrum of 1H-pyrazole was recorded in thermotropic nematic liquid crystal N-(p-ethoxybenzylidene)-p-butylaniline (EBBA) within the temperature range of 299–308 K. Two of three observable dipolar DHH-couplings appeared to be equal at each temperature because of fast prototropic tautomerism. Analysis of the Saupe orientational order parameters using fixed geometry determined by computations and experimental dipolar couplings results in a situation in which the molecular orientation relative to the magnetic field (and the liquid crystal director) can be described exceptionally by a single parameter
Fil: Provasi, Patricio Federico. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Nordeste. Instituto de Modelado E Innovación Tecnológica. Universidad Nacional del Nordeste. Facultad de Ciencias Exactas Naturales y Agrimensura. Instituto de Modelado E Innovación Tecnologica; Argentina
Fil: Jimeno, María Luisa. Consejo Superior de Investigaciones Científicas. Centro de Química Orgánica "Lora-Tamayo"; España
Fil: Alkorta, Ibon. Consejo Superior de Investigaciones Científicas. Instituto de Química Medica; España
Fil: Reviriego, Felipe. Consejo Superior de Investigaciones Científicas. Instituto de Química Medica; España
Fil: Elguero, José. Consejo Superior de Investigaciones Científicas. Instituto de Química Medica; España
Fil: Jokisaarid, Jukka. University of Oulu. Nuclear Magnetic Resonance Research Group; Finlandia
Materia
D Couplings
1h-Pyrazole
Dft Calculations
Tautomerism
Orientational Order
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:11336/17618
Acceder
id CONICETDig_ac19d9300d284167ce38c9b0846d3855
oai_identifier_str oai:ri.conicet.gov.ar:11336/17618
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling The 1H NMR spectrum of pyrazole in a nematic phaseProvasi, Patricio FedericoJimeno, María LuisaAlkorta, IbonReviriego, FelipeElguero, JoséJokisaarid, JukkaD Couplings1h-PyrazoleDft CalculationsTautomerismOrientational Orderhttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1The experimental 1H nuclear magnetic resonance (NMR) spectrum of 1H-pyrazole was recorded in thermotropic nematic liquid crystal N-(p-ethoxybenzylidene)-p-butylaniline (EBBA) within the temperature range of 299–308 K. Two of three observable dipolar DHH-couplings appeared to be equal at each temperature because of fast prototropic tautomerism. Analysis of the Saupe orientational order parameters using fixed geometry determined by computations and experimental dipolar couplings results in a situation in which the molecular orientation relative to the magnetic field (and the liquid crystal director) can be described exceptionally by a single parameterFil: Provasi, Patricio Federico. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Nordeste. Instituto de Modelado E Innovación Tecnológica. Universidad Nacional del Nordeste. Facultad de Ciencias Exactas Naturales y Agrimensura. Instituto de Modelado E Innovación Tecnologica; ArgentinaFil: Jimeno, María Luisa. Consejo Superior de Investigaciones Científicas. Centro de Química Orgánica "Lora-Tamayo"; EspañaFil: Alkorta, Ibon. Consejo Superior de Investigaciones Científicas. Instituto de Química Medica; EspañaFil: Reviriego, Felipe. Consejo Superior de Investigaciones Científicas. Instituto de Química Medica; EspañaFil: Elguero, José. Consejo Superior de Investigaciones Científicas. Instituto de Química Medica; EspañaFil: Jokisaarid, Jukka. University of Oulu. Nuclear Magnetic Resonance Research Group; FinlandiaJohn Wiley & Sons Ltd2016-03info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/17618Provasi, Patricio Federico; Jimeno, María Luisa; Alkorta, Ibon; Reviriego, Felipe; Elguero, José; et al.; The 1H NMR spectrum of pyrazole in a nematic phase; John Wiley & Sons Ltd; Magnetic Resonance In Chemistry; 54; 8; 3-2016; 637-6400749-15811097-458Xenginfo:eu-repo/semantics/altIdentifier/url/http://onlinelibrary.wiley.com/doi/10.1002/mrc.4422/abstractinfo:eu-repo/semantics/altIdentifier/doi/10.1002/mrc.4422info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-03T09:48:45Zoai:ri.conicet.gov.ar:11336/17618instacron: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:34982025-09-03 09:48:45.741CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv The 1H NMR spectrum of pyrazole in a nematic phase
title The 1H NMR spectrum of pyrazole in a nematic phase
spellingShingle The 1H NMR spectrum of pyrazole in a nematic phase
Provasi, Patricio Federico
D Couplings
1h-Pyrazole
Dft Calculations
Tautomerism
Orientational Order
title_short The 1H NMR spectrum of pyrazole in a nematic phase
title_full The 1H NMR spectrum of pyrazole in a nematic phase
title_fullStr The 1H NMR spectrum of pyrazole in a nematic phase
title_full_unstemmed The 1H NMR spectrum of pyrazole in a nematic phase
title_sort The 1H NMR spectrum of pyrazole in a nematic phase
dc.creator.none.fl_str_mv Provasi, Patricio Federico
Jimeno, María Luisa
Alkorta, Ibon
Reviriego, Felipe
Elguero, José
Jokisaarid, Jukka
author Provasi, Patricio Federico
author_facet Provasi, Patricio Federico
Jimeno, María Luisa
Alkorta, Ibon
Reviriego, Felipe
Elguero, José
Jokisaarid, Jukka
author_role author
author2 Jimeno, María Luisa
Alkorta, Ibon
Reviriego, Felipe
Elguero, José
Jokisaarid, Jukka
author2_role author
author
author
author
author
dc.subject.none.fl_str_mv D Couplings
1h-Pyrazole
Dft Calculations
Tautomerism
Orientational Order
topic D Couplings
1h-Pyrazole
Dft Calculations
Tautomerism
Orientational Order
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 experimental 1H nuclear magnetic resonance (NMR) spectrum of 1H-pyrazole was recorded in thermotropic nematic liquid crystal N-(p-ethoxybenzylidene)-p-butylaniline (EBBA) within the temperature range of 299–308 K. Two of three observable dipolar DHH-couplings appeared to be equal at each temperature because of fast prototropic tautomerism. Analysis of the Saupe orientational order parameters using fixed geometry determined by computations and experimental dipolar couplings results in a situation in which the molecular orientation relative to the magnetic field (and the liquid crystal director) can be described exceptionally by a single parameter
Fil: Provasi, Patricio Federico. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Nordeste. Instituto de Modelado E Innovación Tecnológica. Universidad Nacional del Nordeste. Facultad de Ciencias Exactas Naturales y Agrimensura. Instituto de Modelado E Innovación Tecnologica; Argentina
Fil: Jimeno, María Luisa. Consejo Superior de Investigaciones Científicas. Centro de Química Orgánica "Lora-Tamayo"; España
Fil: Alkorta, Ibon. Consejo Superior de Investigaciones Científicas. Instituto de Química Medica; España
Fil: Reviriego, Felipe. Consejo Superior de Investigaciones Científicas. Instituto de Química Medica; España
Fil: Elguero, José. Consejo Superior de Investigaciones Científicas. Instituto de Química Medica; España
Fil: Jokisaarid, Jukka. University of Oulu. Nuclear Magnetic Resonance Research Group; Finlandia
description The experimental 1H nuclear magnetic resonance (NMR) spectrum of 1H-pyrazole was recorded in thermotropic nematic liquid crystal N-(p-ethoxybenzylidene)-p-butylaniline (EBBA) within the temperature range of 299–308 K. Two of three observable dipolar DHH-couplings appeared to be equal at each temperature because of fast prototropic tautomerism. Analysis of the Saupe orientational order parameters using fixed geometry determined by computations and experimental dipolar couplings results in a situation in which the molecular orientation relative to the magnetic field (and the liquid crystal director) can be described exceptionally by a single parameter
publishDate 2016
dc.date.none.fl_str_mv 2016-03
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/11336/17618
Provasi, Patricio Federico; Jimeno, María Luisa; Alkorta, Ibon; Reviriego, Felipe; Elguero, José; et al.; The 1H NMR spectrum of pyrazole in a nematic phase; John Wiley & Sons Ltd; Magnetic Resonance In Chemistry; 54; 8; 3-2016; 637-640
0749-1581
1097-458X
url http://hdl.handle.net/11336/17618
identifier_str_mv Provasi, Patricio Federico; Jimeno, María Luisa; Alkorta, Ibon; Reviriego, Felipe; Elguero, José; et al.; The 1H NMR spectrum of pyrazole in a nematic phase; John Wiley & Sons Ltd; Magnetic Resonance In Chemistry; 54; 8; 3-2016; 637-640
0749-1581
1097-458X
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/url/http://onlinelibrary.wiley.com/doi/10.1002/mrc.4422/abstract
info:eu-repo/semantics/altIdentifier/doi/10.1002/mrc.4422
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 John Wiley & Sons Ltd
publisher.none.fl_str_mv John Wiley & Sons Ltd
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
_version_ 1842268938046537728
score 13.13397

Publicaciones similares