Synthesis, characterization and vibrational properties of p-fluorosulfinylaniline

Autores
Paez Jerez, Ana Laura; Flores Antognini, Andrea; Cutin, Edgardo Hugo; Robles, Norma Lis
Año de publicación
2014
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
The reaction of p-fluoroaniline and SOCl2 rendered p-fluorosulfinylaniline in good yield. The obtained dark yellowish liquid compound was characterized by NMR, UV-visible, FT-IR and Raman spectroscopies. The observed features were consistent with the existence of only one conformer, belonging to the CS symmetry group. A tentative assignment of the vibrational modes was performed on the basis of experimental spectra and quantum chemical calculations at different levels of theory (B3LYP and MP2 with 6-31+G(d), 6-311+G(d) and 6-311+G(df) basis sets). The conformational and vibrational properties of p-fluorosulfinylaniline were in good agreement with experimental data reported for other substituted sulfinylanilines and p-halogenanilines.
Fil: Paez Jerez, Ana Laura. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Tucumán. Instituto de Quimica del Noroeste; Argentina
Fil: Flores Antognini, Andrea. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Tucumán. Instituto de Quimica del Noroeste; Argentina
Fil: Cutin, Edgardo Hugo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Tucumán. Instituto de Quimica del Noroeste; Argentina
Fil: Robles, Norma Lis. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Tucumán. Instituto de Quimica del Noroeste; Argentina
Materia
Halogen Substituted Sulfinylaniline
Vibrational Spectroscopy
Quantum Chemical Calculations
Synthesis
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc-nd/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/6802
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/6802
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Synthesis, characterization and vibrational properties of p-fluorosulfinylanilinePaez Jerez, Ana LauraFlores Antognini, AndreaCutin, Edgardo HugoRobles, Norma LisHalogen Substituted SulfinylanilineVibrational SpectroscopyQuantum Chemical CalculationsSynthesishttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1The reaction of p-fluoroaniline and SOCl2 rendered p-fluorosulfinylaniline in good yield. The obtained dark yellowish liquid compound was characterized by NMR, UV-visible, FT-IR and Raman spectroscopies. The observed features were consistent with the existence of only one conformer, belonging to the CS symmetry group. A tentative assignment of the vibrational modes was performed on the basis of experimental spectra and quantum chemical calculations at different levels of theory (B3LYP and MP2 with 6-31+G(d), 6-311+G(d) and 6-311+G(df) basis sets). The conformational and vibrational properties of p-fluorosulfinylaniline were in good agreement with experimental data reported for other substituted sulfinylanilines and p-halogenanilines.Fil: Paez Jerez, Ana Laura. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Tucumán. Instituto de Quimica del Noroeste; ArgentinaFil: Flores Antognini, Andrea. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Tucumán. Instituto de Quimica del Noroeste; ArgentinaFil: Cutin, Edgardo Hugo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Tucumán. Instituto de Quimica del Noroeste; ArgentinaFil: Robles, Norma Lis. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Tucumán. Instituto de Quimica del Noroeste; ArgentinaElsevier2014-08-28info: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/11336/6802Paez Jerez, Ana Laura; Flores Antognini, Andrea; Cutin, Edgardo Hugo; Robles, Norma Lis; Synthesis, characterization and vibrational properties of p-fluorosulfinylaniline; Elsevier; Spectrochimica Acta Part A: Molecular And Biomolecular Spectroscopy; 137; 28-8-2014; 300-3051386-1425enginfo:eu-repo/semantics/altIdentifier/doi/info:eu-repo/semantics/altIdentifier/doi/10.1016/j.saa.2014.08.040info:eu-repo/semantics/altIdentifier/pmid/25228038info:eu-repo/semantics/altIdentifier/url/http://www.sciencedirect.com/science/article/pii/S1386142514012311info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-nd/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-29T10:42:17Zoai:ri.conicet.gov.ar:11336/6802instacron: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:34982025-09-29 10:42:17.264CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Synthesis, characterization and vibrational properties of p-fluorosulfinylaniline
title Synthesis, characterization and vibrational properties of p-fluorosulfinylaniline
spellingShingle Synthesis, characterization and vibrational properties of p-fluorosulfinylaniline
Paez Jerez, Ana Laura
Halogen Substituted Sulfinylaniline
Vibrational Spectroscopy
Quantum Chemical Calculations
Synthesis
title_short Synthesis, characterization and vibrational properties of p-fluorosulfinylaniline
title_full Synthesis, characterization and vibrational properties of p-fluorosulfinylaniline
title_fullStr Synthesis, characterization and vibrational properties of p-fluorosulfinylaniline
title_full_unstemmed Synthesis, characterization and vibrational properties of p-fluorosulfinylaniline
title_sort Synthesis, characterization and vibrational properties of p-fluorosulfinylaniline
dc.creator.none.fl_str_mv Paez Jerez, Ana Laura
Flores Antognini, Andrea
Cutin, Edgardo Hugo
Robles, Norma Lis
author Paez Jerez, Ana Laura
author_facet Paez Jerez, Ana Laura
Flores Antognini, Andrea
Cutin, Edgardo Hugo
Robles, Norma Lis
author_role author
author2 Flores Antognini, Andrea
Cutin, Edgardo Hugo
Robles, Norma Lis
author2_role author
author
author
dc.subject.none.fl_str_mv Halogen Substituted Sulfinylaniline
Vibrational Spectroscopy
Quantum Chemical Calculations
Synthesis
topic Halogen Substituted Sulfinylaniline
Vibrational Spectroscopy
Quantum Chemical Calculations
Synthesis
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv The reaction of p-fluoroaniline and SOCl2 rendered p-fluorosulfinylaniline in good yield. The obtained dark yellowish liquid compound was characterized by NMR, UV-visible, FT-IR and Raman spectroscopies. The observed features were consistent with the existence of only one conformer, belonging to the CS symmetry group. A tentative assignment of the vibrational modes was performed on the basis of experimental spectra and quantum chemical calculations at different levels of theory (B3LYP and MP2 with 6-31+G(d), 6-311+G(d) and 6-311+G(df) basis sets). The conformational and vibrational properties of p-fluorosulfinylaniline were in good agreement with experimental data reported for other substituted sulfinylanilines and p-halogenanilines.
Fil: Paez Jerez, Ana Laura. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Tucumán. Instituto de Quimica del Noroeste; Argentina
Fil: Flores Antognini, Andrea. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Tucumán. Instituto de Quimica del Noroeste; Argentina
Fil: Cutin, Edgardo Hugo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Tucumán. Instituto de Quimica del Noroeste; Argentina
Fil: Robles, Norma Lis. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Tucumán. Instituto de Quimica del Noroeste; Argentina
description The reaction of p-fluoroaniline and SOCl2 rendered p-fluorosulfinylaniline in good yield. The obtained dark yellowish liquid compound was characterized by NMR, UV-visible, FT-IR and Raman spectroscopies. The observed features were consistent with the existence of only one conformer, belonging to the CS symmetry group. A tentative assignment of the vibrational modes was performed on the basis of experimental spectra and quantum chemical calculations at different levels of theory (B3LYP and MP2 with 6-31+G(d), 6-311+G(d) and 6-311+G(df) basis sets). The conformational and vibrational properties of p-fluorosulfinylaniline were in good agreement with experimental data reported for other substituted sulfinylanilines and p-halogenanilines.
publishDate 2014
dc.date.none.fl_str_mv 2014-08-28
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/11336/6802
Paez Jerez, Ana Laura; Flores Antognini, Andrea; Cutin, Edgardo Hugo; Robles, Norma Lis; Synthesis, characterization and vibrational properties of p-fluorosulfinylaniline; Elsevier; Spectrochimica Acta Part A: Molecular And Biomolecular Spectroscopy; 137; 28-8-2014; 300-305
1386-1425
url http://hdl.handle.net/11336/6802
identifier_str_mv Paez Jerez, Ana Laura; Flores Antognini, Andrea; Cutin, Edgardo Hugo; Robles, Norma Lis; Synthesis, characterization and vibrational properties of p-fluorosulfinylaniline; Elsevier; Spectrochimica Acta Part A: Molecular And Biomolecular Spectroscopy; 137; 28-8-2014; 300-305
1386-1425
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/
info:eu-repo/semantics/altIdentifier/doi/10.1016/j.saa.2014.08.040
info:eu-repo/semantics/altIdentifier/pmid/25228038
info:eu-repo/semantics/altIdentifier/url/http://www.sciencedirect.com/science/article/pii/S1386142514012311
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc-nd/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc-nd/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
application/pdf
dc.publisher.none.fl_str_mv Elsevier
publisher.none.fl_str_mv Elsevier
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 13.070432

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