The structures of two aldazines: [1,1′-(1E,1′E)-hydrazine-1,2-diylidenebis(methan-1-yl-1-Ylidene) dinaphthalen-2-ol] (Lumogen) and 2,2′-(1E,1′E)-hydrazine-1,2-diylidenebis(methan-1...

Autores
Silva, Artur M. S.; Silva, Vera L. M.; Claramunt, Rosa M.; Santa María, Dolores; Ferraro, Marta Beatriz; Reviriego, Felipe; Alkorta, Ibon; Elguero, José
Año de publicación
2013
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
A combination of NMR spectroscopy and theoretical methods Density functional theory including dispersion corrections (DFT-D) was used to study the structures of Lumogen and salicylaldazine. In the solid state, Lumogen exists as the dihydroxy tautomer 1andazine, C1⁄4N-N1⁄4C) as was already known from an X-ray determination. In a deuterated dimethyl sulfoxide solution, anothertautomer is observed besides 1a; its structure corresponds to the hydroxy-oxo tautomer 1b (a hydrazone, C1⁄4N NH Csp2). In whatconcerns salicylaldazine, we have observed only the dihydroxy tautomer 2a.
Fil: Silva, Artur M. S.. Universidade de Aveiro; Portugal
Fil: Silva, Vera L. M.. Universidade de Aveiro; Portugal
Fil: Claramunt, Rosa M.. Universidad Nacional de Educación a Distancia; España
Fil: Santa María, Dolores. Universidad Nacional de Educación a Distancia; España
Fil: Ferraro, Marta Beatriz. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Física de Buenos Aires; Argentina. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Departamento de Física; Argentina
Fil: Reviriego, Felipe. Consejo Superior de Investigaciones Científicas; España
Fil: Alkorta, Ibon. Consejo Superior de Investigaciones Científicas; España
Fil: Elguero, José. Consejo Superior de Investigaciones Científicas; España
Materia
CPMAS
DFT-D CALCULATIONS
LUMOGEN
NMR
SALICYLALDAZINE
TEMPERATURE EFFECTS
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:11336/2511
Acceder
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repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling The structures of two aldazines: [1,1′-(1E,1′E)-hydrazine-1,2-diylidenebis(methan-1-yl-1-Ylidene) dinaphthalen-2-ol] (Lumogen) and 2,2′-(1E,1′E)-hydrazine-1,2-diylidenebis(methan-1-yl-1-ylidene)diphenol (salicylaldazine) in the solid state and in solutionSilva, Artur M. S.Silva, Vera L. M.Claramunt, Rosa M.Santa María, DoloresFerraro, Marta BeatrizReviriego, FelipeAlkorta, IbonElguero, JoséCPMASDFT-D CALCULATIONSLUMOGENNMRSALICYLALDAZINETEMPERATURE EFFECTShttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1A combination of NMR spectroscopy and theoretical methods Density functional theory including dispersion corrections (DFT-D) was used to study the structures of Lumogen and salicylaldazine. In the solid state, Lumogen exists as the dihydroxy tautomer 1andazine, C1⁄4N-N1⁄4C) as was already known from an X-ray determination. In a deuterated dimethyl sulfoxide solution, anothertautomer is observed besides 1a; its structure corresponds to the hydroxy-oxo tautomer 1b (a hydrazone, C1⁄4N NH Csp2). In whatconcerns salicylaldazine, we have observed only the dihydroxy tautomer 2a.Fil: Silva, Artur M. S.. Universidade de Aveiro; PortugalFil: Silva, Vera L. M.. Universidade de Aveiro; PortugalFil: Claramunt, Rosa M.. Universidad Nacional de Educación a Distancia; EspañaFil: Santa María, Dolores. Universidad Nacional de Educación a Distancia; EspañaFil: Ferraro, Marta Beatriz. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Física de Buenos Aires; Argentina. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Departamento de Física; ArgentinaFil: Reviriego, Felipe. Consejo Superior de Investigaciones Científicas; EspañaFil: Alkorta, Ibon. Consejo Superior de Investigaciones Científicas; EspañaFil: Elguero, José. Consejo Superior de Investigaciones Científicas; EspañaJohn Wiley & Sons Ltd2013-09info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/2511Silva, Artur M. S.; Silva, Vera L. M.; Claramunt, Rosa M.; Santa María, Dolores; Ferraro, Marta Beatriz; et al.; The structures of two aldazines: [1,1′-(1E,1′E)-hydrazine-1,2-diylidenebis(methan-1-yl-1-Ylidene) dinaphthalen-2-ol] (Lumogen) and 2,2′-(1E,1′E)-hydrazine-1,2-diylidenebis(methan-1-yl-1-ylidene)diphenol (salicylaldazine) in the solid state and in solution; John Wiley & Sons Ltd; Magnetic Resonance in Chemistry; 51; 9; 9-2013; 530-5400749-1581enginfo:eu-repo/semantics/altIdentifier/doi/DOI:10.1002/mrc.3983info:eu-repo/semantics/altIdentifier/url/http://onlinelibrary.wiley.com/doi/10.1002/mrc.3983/abstractinfo:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-11-12T09:42:29Zoai:ri.conicet.gov.ar:11336/2511instacron: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:34982025-11-12 09:42:29.829CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv The structures of two aldazines: [1,1′-(1E,1′E)-hydrazine-1,2-diylidenebis(methan-1-yl-1-Ylidene) dinaphthalen-2-ol] (Lumogen) and 2,2′-(1E,1′E)-hydrazine-1,2-diylidenebis(methan-1-yl-1-ylidene)diphenol (salicylaldazine) in the solid state and in solution
title The structures of two aldazines: [1,1′-(1E,1′E)-hydrazine-1,2-diylidenebis(methan-1-yl-1-Ylidene) dinaphthalen-2-ol] (Lumogen) and 2,2′-(1E,1′E)-hydrazine-1,2-diylidenebis(methan-1-yl-1-ylidene)diphenol (salicylaldazine) in the solid state and in solution
spellingShingle The structures of two aldazines: [1,1′-(1E,1′E)-hydrazine-1,2-diylidenebis(methan-1-yl-1-Ylidene) dinaphthalen-2-ol] (Lumogen) and 2,2′-(1E,1′E)-hydrazine-1,2-diylidenebis(methan-1-yl-1-ylidene)diphenol (salicylaldazine) in the solid state and in solution
Silva, Artur M. S.
CPMAS
DFT-D CALCULATIONS
LUMOGEN
NMR
SALICYLALDAZINE
TEMPERATURE EFFECTS
title_short The structures of two aldazines: [1,1′-(1E,1′E)-hydrazine-1,2-diylidenebis(methan-1-yl-1-Ylidene) dinaphthalen-2-ol] (Lumogen) and 2,2′-(1E,1′E)-hydrazine-1,2-diylidenebis(methan-1-yl-1-ylidene)diphenol (salicylaldazine) in the solid state and in solution
title_full The structures of two aldazines: [1,1′-(1E,1′E)-hydrazine-1,2-diylidenebis(methan-1-yl-1-Ylidene) dinaphthalen-2-ol] (Lumogen) and 2,2′-(1E,1′E)-hydrazine-1,2-diylidenebis(methan-1-yl-1-ylidene)diphenol (salicylaldazine) in the solid state and in solution
title_fullStr The structures of two aldazines: [1,1′-(1E,1′E)-hydrazine-1,2-diylidenebis(methan-1-yl-1-Ylidene) dinaphthalen-2-ol] (Lumogen) and 2,2′-(1E,1′E)-hydrazine-1,2-diylidenebis(methan-1-yl-1-ylidene)diphenol (salicylaldazine) in the solid state and in solution
title_full_unstemmed The structures of two aldazines: [1,1′-(1E,1′E)-hydrazine-1,2-diylidenebis(methan-1-yl-1-Ylidene) dinaphthalen-2-ol] (Lumogen) and 2,2′-(1E,1′E)-hydrazine-1,2-diylidenebis(methan-1-yl-1-ylidene)diphenol (salicylaldazine) in the solid state and in solution
title_sort The structures of two aldazines: [1,1′-(1E,1′E)-hydrazine-1,2-diylidenebis(methan-1-yl-1-Ylidene) dinaphthalen-2-ol] (Lumogen) and 2,2′-(1E,1′E)-hydrazine-1,2-diylidenebis(methan-1-yl-1-ylidene)diphenol (salicylaldazine) in the solid state and in solution
dc.creator.none.fl_str_mv Silva, Artur M. S.
Silva, Vera L. M.
Claramunt, Rosa M.
Santa María, Dolores
Ferraro, Marta Beatriz
Reviriego, Felipe
Alkorta, Ibon
Elguero, José
author Silva, Artur M. S.
author_facet Silva, Artur M. S.
Silva, Vera L. M.
Claramunt, Rosa M.
Santa María, Dolores
Ferraro, Marta Beatriz
Reviriego, Felipe
Alkorta, Ibon
Elguero, José
author_role author
author2 Silva, Vera L. M.
Claramunt, Rosa M.
Santa María, Dolores
Ferraro, Marta Beatriz
Reviriego, Felipe
Alkorta, Ibon
Elguero, José
author2_role author
author
author
author
author
author
author
dc.subject.none.fl_str_mv CPMAS
DFT-D CALCULATIONS
LUMOGEN
NMR
SALICYLALDAZINE
TEMPERATURE EFFECTS
topic CPMAS
DFT-D CALCULATIONS
LUMOGEN
NMR
SALICYLALDAZINE
TEMPERATURE EFFECTS
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv A combination of NMR spectroscopy and theoretical methods Density functional theory including dispersion corrections (DFT-D) was used to study the structures of Lumogen and salicylaldazine. In the solid state, Lumogen exists as the dihydroxy tautomer 1andazine, C1⁄4N-N1⁄4C) as was already known from an X-ray determination. In a deuterated dimethyl sulfoxide solution, anothertautomer is observed besides 1a; its structure corresponds to the hydroxy-oxo tautomer 1b (a hydrazone, C1⁄4N NH Csp2). In whatconcerns salicylaldazine, we have observed only the dihydroxy tautomer 2a.
Fil: Silva, Artur M. S.. Universidade de Aveiro; Portugal
Fil: Silva, Vera L. M.. Universidade de Aveiro; Portugal
Fil: Claramunt, Rosa M.. Universidad Nacional de Educación a Distancia; España
Fil: Santa María, Dolores. Universidad Nacional de Educación a Distancia; España
Fil: Ferraro, Marta Beatriz. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Física de Buenos Aires; Argentina. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Departamento de Física; Argentina
Fil: Reviriego, Felipe. Consejo Superior de Investigaciones Científicas; España
Fil: Alkorta, Ibon. Consejo Superior de Investigaciones Científicas; España
Fil: Elguero, José. Consejo Superior de Investigaciones Científicas; España
description A combination of NMR spectroscopy and theoretical methods Density functional theory including dispersion corrections (DFT-D) was used to study the structures of Lumogen and salicylaldazine. In the solid state, Lumogen exists as the dihydroxy tautomer 1andazine, C1⁄4N-N1⁄4C) as was already known from an X-ray determination. In a deuterated dimethyl sulfoxide solution, anothertautomer is observed besides 1a; its structure corresponds to the hydroxy-oxo tautomer 1b (a hydrazone, C1⁄4N NH Csp2). In whatconcerns salicylaldazine, we have observed only the dihydroxy tautomer 2a.
publishDate 2013
dc.date.none.fl_str_mv 2013-09
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/11336/2511
Silva, Artur M. S.; Silva, Vera L. M.; Claramunt, Rosa M.; Santa María, Dolores; Ferraro, Marta Beatriz; et al.; The structures of two aldazines: [1,1′-(1E,1′E)-hydrazine-1,2-diylidenebis(methan-1-yl-1-Ylidene) dinaphthalen-2-ol] (Lumogen) and 2,2′-(1E,1′E)-hydrazine-1,2-diylidenebis(methan-1-yl-1-ylidene)diphenol (salicylaldazine) in the solid state and in solution; John Wiley & Sons Ltd; Magnetic Resonance in Chemistry; 51; 9; 9-2013; 530-540
0749-1581
url http://hdl.handle.net/11336/2511
identifier_str_mv Silva, Artur M. S.; Silva, Vera L. M.; Claramunt, Rosa M.; Santa María, Dolores; Ferraro, Marta Beatriz; et al.; The structures of two aldazines: [1,1′-(1E,1′E)-hydrazine-1,2-diylidenebis(methan-1-yl-1-Ylidene) dinaphthalen-2-ol] (Lumogen) and 2,2′-(1E,1′E)-hydrazine-1,2-diylidenebis(methan-1-yl-1-ylidene)diphenol (salicylaldazine) in the solid state and in solution; John Wiley & Sons Ltd; Magnetic Resonance in Chemistry; 51; 9; 9-2013; 530-540
0749-1581
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/DOI:10.1002/mrc.3983
info:eu-repo/semantics/altIdentifier/url/http://onlinelibrary.wiley.com/doi/10.1002/mrc.3983/abstract
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
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score 12.976206

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