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

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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 1a (an azine, Cï£N-Nï£C) as was already known fro...

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Autor principal:	Ferraro, Marta Beatriz
Publicado:	2013
Materias:	CPMAS DFT-D calculations Lumogen NMR salicylaldazine temperature effects drug derivative hydrazine derivative naphthol derivative thioridazine article chemical structure chemistry nuclear magnetic resonance nuclear magnetic resonance spectroscopy quantum theory solution and solubility X ray crystallography Crystallography, X-Ray Hydrazines Magnetic Resonance Spectroscopy Models, Molecular Molecular Structure Naphthols Quantum Theory Solutions Thioridazine
Acceso en línea:	https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_07491581_v51_n9_p530_Silva http://hdl.handle.net/20.500.12110/paper_07491581_v51_n9_p530_Silva
Aporte de:	Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires

id	paper:paper_07491581_v51_n9_p530_Silva
record_format	dspace
spelling	paper:paper_07491581_v51_n9_p530_Silva2025-07-30T18:22:07Z 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 Ferraro, Marta Beatriz CPMAS DFT-D calculations Lumogen NMR salicylaldazine temperature effects drug derivative hydrazine derivative naphthol derivative thioridazine article chemical structure chemistry CPMAS DFT-D calculations Lumogen nuclear magnetic resonance nuclear magnetic resonance spectroscopy quantum theory salicylaldazine solution and solubility temperature effects X ray crystallography CPMAS DFT-D calculations Lumogen NMR salicylaldazine temperature effects Crystallography, X-Ray Hydrazines Magnetic Resonance Spectroscopy Models, Molecular Molecular Structure Naphthols Quantum Theory Solutions Thioridazine 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 1a (an azine, Cï£N-Nï£C) as was already known from an X-ray determination. In a deuterated dimethyl sulfoxide solution, another tautomer is observed besides 1a; its structure corresponds to the hydroxy-oxo tautomer 1b (a hydrazone, Cï£N-NH-Csp2). In what concerns salicylaldazine, we have observed only the dihydroxy tautomer 2a. Copyright © 2013 John Wiley & Sons, Ltd. Fil:Ferraro, M.B. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. 2013 https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_07491581_v51_n9_p530_Silva http://hdl.handle.net/20.500.12110/paper_07491581_v51_n9_p530_Silva
institution	Universidad de Buenos Aires
institution_str	I-28
repository_str	R-134
collection	Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA)
topic	CPMAS DFT-D calculations Lumogen NMR salicylaldazine temperature effects drug derivative hydrazine derivative naphthol derivative thioridazine article chemical structure chemistry CPMAS DFT-D calculations Lumogen nuclear magnetic resonance nuclear magnetic resonance spectroscopy quantum theory salicylaldazine solution and solubility temperature effects X ray crystallography CPMAS DFT-D calculations Lumogen NMR salicylaldazine temperature effects Crystallography, X-Ray Hydrazines Magnetic Resonance Spectroscopy Models, Molecular Molecular Structure Naphthols Quantum Theory Solutions Thioridazine
spellingShingle	CPMAS DFT-D calculations Lumogen NMR salicylaldazine temperature effects drug derivative hydrazine derivative naphthol derivative thioridazine article chemical structure chemistry CPMAS DFT-D calculations Lumogen nuclear magnetic resonance nuclear magnetic resonance spectroscopy quantum theory salicylaldazine solution and solubility temperature effects X ray crystallography CPMAS DFT-D calculations Lumogen NMR salicylaldazine temperature effects Crystallography, X-Ray Hydrazines Magnetic Resonance Spectroscopy Models, Molecular Molecular Structure Naphthols Quantum Theory Solutions Thioridazine Ferraro, Marta Beatriz 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
topic_facet	CPMAS DFT-D calculations Lumogen NMR salicylaldazine temperature effects drug derivative hydrazine derivative naphthol derivative thioridazine article chemical structure chemistry CPMAS DFT-D calculations Lumogen nuclear magnetic resonance nuclear magnetic resonance spectroscopy quantum theory salicylaldazine solution and solubility temperature effects X ray crystallography CPMAS DFT-D calculations Lumogen NMR salicylaldazine temperature effects Crystallography, X-Ray Hydrazines Magnetic Resonance Spectroscopy Models, Molecular Molecular Structure Naphthols Quantum Theory Solutions Thioridazine
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 1a (an azine, Cï£N-Nï£C) as was already known from an X-ray determination. In a deuterated dimethyl sulfoxide solution, another tautomer is observed besides 1a; its structure corresponds to the hydroxy-oxo tautomer 1b (a hydrazone, Cï£N-NH-Csp2). In what concerns salicylaldazine, we have observed only the dihydroxy tautomer 2a. Copyright © 2013 John Wiley & Sons, Ltd.
author	Ferraro, Marta Beatriz
author_facet	Ferraro, Marta Beatriz
author_sort	Ferraro, Marta Beatriz
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
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	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
publishDate	2013
url	https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_07491581_v51_n9_p530_Silva http://hdl.handle.net/20.500.12110/paper_07491581_v51_n9_p530_Silva
work_keys_str_mv	AT ferraromartabeatriz thestructuresoftwoaldazines111e1ehydrazine12diylidenebismethan1yl1ylidenedinaphthalen2ollumogenand221e1ehydrazine12diylidenebismethan1yl1ylidenediphenolsalicylaldazineinthesolidstateandinsolution AT ferraromartabeatriz structuresoftwoaldazines111e1ehydrazine12diylidenebismethan1yl1ylidenedinaphthalen2ollumogenand221e1ehydrazine12diylidenebismethan1yl1ylidenediphenolsalicylaldazineinthesolidstateandinsolution
_version_	1840325567659900928

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

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