Mass spectral study of the occurrence of tautomeric forms of selected enaminones

Autores
Ruiz, Danila Luján; Spaltro, Agustín; Caputo, Maricel; Iglesias, Dacio Adhemar; Allegretti, Patricia Ercilia
Año de publicación
2015
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
The mass spectra of enaminones can provide valuable information with regards to tautomeric equilibria in the gas phase. Mass spectra of selected enaminones have been analyzed and specific fragmentation assignments have been done to characterized and weigh co-existing all possible tautomers of enaminones. Thioenaminones are of particular interest due to their tendency to shift the tautomeric equilibrium towards the thioenolimine or thioenolenamine form. Mass spectra of differently substituted enaminones are examined looking for common mass spectral behaviors. Ion fragmentations from specific tautomers allow predicting the most stable structure for the selected compounds. Acceptable correlation between the experimental data and theoretical results are found only with the neutral species, indicating that mass spectrometry could be resourced as a tool for the investigation of tautomerism of neutral species in the gas phase.
Fil: Ruiz, Danila Luján. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Departamento de Química; Argentina
Fil: Spaltro, Agustín. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Departamento de Química; Argentina
Fil: Caputo, Maricel. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Departamento de Química; Argentina
Fil: Iglesias, Dacio Adhemar. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Departamento de Química; Argentina
Fil: Allegretti, Patricia Ercilia. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Departamento de Química; Argentina
Materia
Enaminonas
Tautomerismo
Espectrometria de Masa
Cromatografia Gaseosa
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:11336/45915
Acceder
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network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Mass spectral study of the occurrence of tautomeric forms of selected enaminonesRuiz, Danila LujánSpaltro, AgustínCaputo, MaricelIglesias, Dacio AdhemarAllegretti, Patricia ErciliaEnaminonasTautomerismoEspectrometria de MasaCromatografia Gaseosahttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1The mass spectra of enaminones can provide valuable information with regards to tautomeric equilibria in the gas phase. Mass spectra of selected enaminones have been analyzed and specific fragmentation assignments have been done to characterized and weigh co-existing all possible tautomers of enaminones. Thioenaminones are of particular interest due to their tendency to shift the tautomeric equilibrium towards the thioenolimine or thioenolenamine form. Mass spectra of differently substituted enaminones are examined looking for common mass spectral behaviors. Ion fragmentations from specific tautomers allow predicting the most stable structure for the selected compounds. Acceptable correlation between the experimental data and theoretical results are found only with the neutral species, indicating that mass spectrometry could be resourced as a tool for the investigation of tautomerism of neutral species in the gas phase.Fil: Ruiz, Danila Luján. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Departamento de Química; ArgentinaFil: Spaltro, Agustín. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Departamento de Química; ArgentinaFil: Caputo, Maricel. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Departamento de Química; ArgentinaFil: Iglesias, Dacio Adhemar. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Departamento de Química; ArgentinaFil: Allegretti, Patricia Ercilia. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Departamento de Química; ArgentinaElsevier Science2015-03info: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/11336/45915Ruiz, Danila Luján; Spaltro, Agustín; Caputo, Maricel; Iglesias, Dacio Adhemar; Allegretti, Patricia Ercilia; Mass spectral study of the occurrence of tautomeric forms of selected enaminones; Elsevier Science; International Journal Of Mass Spectrometry; 379; 3-2015; 87-961387-3806CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.1016/j.ijms.2014.12.010info:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/pii/S1387380614005223info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-10-15T15:16:26Zoai:ri.conicet.gov.ar:11336/45915instacron: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 15:16:26.566CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Mass spectral study of the occurrence of tautomeric forms of selected enaminones
title Mass spectral study of the occurrence of tautomeric forms of selected enaminones
spellingShingle Mass spectral study of the occurrence of tautomeric forms of selected enaminones
Ruiz, Danila Luján
Enaminonas
Tautomerismo
Espectrometria de Masa
Cromatografia Gaseosa
title_short Mass spectral study of the occurrence of tautomeric forms of selected enaminones
title_full Mass spectral study of the occurrence of tautomeric forms of selected enaminones
title_fullStr Mass spectral study of the occurrence of tautomeric forms of selected enaminones
title_full_unstemmed Mass spectral study of the occurrence of tautomeric forms of selected enaminones
title_sort Mass spectral study of the occurrence of tautomeric forms of selected enaminones
dc.creator.none.fl_str_mv Ruiz, Danila Luján
Spaltro, Agustín
Caputo, Maricel
Iglesias, Dacio Adhemar
Allegretti, Patricia Ercilia
author Ruiz, Danila Luján
author_facet Ruiz, Danila Luján
Spaltro, Agustín
Caputo, Maricel
Iglesias, Dacio Adhemar
Allegretti, Patricia Ercilia
author_role author
author2 Spaltro, Agustín
Caputo, Maricel
Iglesias, Dacio Adhemar
Allegretti, Patricia Ercilia
author2_role author
author
author
author
dc.subject.none.fl_str_mv Enaminonas
Tautomerismo
Espectrometria de Masa
Cromatografia Gaseosa
topic Enaminonas
Tautomerismo
Espectrometria de Masa
Cromatografia Gaseosa
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 mass spectra of enaminones can provide valuable information with regards to tautomeric equilibria in the gas phase. Mass spectra of selected enaminones have been analyzed and specific fragmentation assignments have been done to characterized and weigh co-existing all possible tautomers of enaminones. Thioenaminones are of particular interest due to their tendency to shift the tautomeric equilibrium towards the thioenolimine or thioenolenamine form. Mass spectra of differently substituted enaminones are examined looking for common mass spectral behaviors. Ion fragmentations from specific tautomers allow predicting the most stable structure for the selected compounds. Acceptable correlation between the experimental data and theoretical results are found only with the neutral species, indicating that mass spectrometry could be resourced as a tool for the investigation of tautomerism of neutral species in the gas phase.
Fil: Ruiz, Danila Luján. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Departamento de Química; Argentina
Fil: Spaltro, Agustín. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Departamento de Química; Argentina
Fil: Caputo, Maricel. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Departamento de Química; Argentina
Fil: Iglesias, Dacio Adhemar. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Departamento de Química; Argentina
Fil: Allegretti, Patricia Ercilia. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Departamento de Química; Argentina
description The mass spectra of enaminones can provide valuable information with regards to tautomeric equilibria in the gas phase. Mass spectra of selected enaminones have been analyzed and specific fragmentation assignments have been done to characterized and weigh co-existing all possible tautomers of enaminones. Thioenaminones are of particular interest due to their tendency to shift the tautomeric equilibrium towards the thioenolimine or thioenolenamine form. Mass spectra of differently substituted enaminones are examined looking for common mass spectral behaviors. Ion fragmentations from specific tautomers allow predicting the most stable structure for the selected compounds. Acceptable correlation between the experimental data and theoretical results are found only with the neutral species, indicating that mass spectrometry could be resourced as a tool for the investigation of tautomerism of neutral species in the gas phase.
publishDate 2015
dc.date.none.fl_str_mv 2015-03
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/11336/45915
Ruiz, Danila Luján; Spaltro, Agustín; Caputo, Maricel; Iglesias, Dacio Adhemar; Allegretti, Patricia Ercilia; Mass spectral study of the occurrence of tautomeric forms of selected enaminones; Elsevier Science; International Journal Of Mass Spectrometry; 379; 3-2015; 87-96
1387-3806
CONICET Digital
CONICET
url http://hdl.handle.net/11336/45915
identifier_str_mv Ruiz, Danila Luján; Spaltro, Agustín; Caputo, Maricel; Iglesias, Dacio Adhemar; Allegretti, Patricia Ercilia; Mass spectral study of the occurrence of tautomeric forms of selected enaminones; Elsevier Science; International Journal Of Mass Spectrometry; 379; 3-2015; 87-96
1387-3806
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/10.1016/j.ijms.2014.12.010
info:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/pii/S1387380614005223
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 Elsevier Science
publisher.none.fl_str_mv Elsevier Science
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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