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
- Institución
- Consejo Nacional de Investigaciones Científicas y Técnicas
- OAI Identificador
- oai:ri.conicet.gov.ar:11336/2511
Ver los metadatos del registro completo
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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 Técnicas2025-09-29T09:52:47Zoai: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:34982025-09-29 09:52:48.225CONICET 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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1844613618108203008 |
score |
13.070432 |