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
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...
| Autores: | , , , , , , , |
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| Tipo de documento: | artigo |
| Estado: | Versão publicada |
| Data de publicação: | 2013 |
| País: | Argentina |
| Recursos: | Consejo Nacional de Investigaciones Científicas y Técnicas |
| Repositório: | CONICET Digital (CONICET) |
| Idioma: | inglês |
| OAI Identifier: | oai:ri.conicet.gov.ar:11336/2511 |
| Acesso em linha: | http://hdl.handle.net/11336/2511 |
| Access Level: | Acceso aberto |
| Palavra-chave: | CPMAS DFT-D CALCULATIONS LUMOGEN NMR SALICYLALDAZINE TEMPERATURE EFFECTS https://purl.org/becyt/ford/1.4 https://purl.org/becyt/ford/1 |
| Resumo: | 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. |
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