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 1a (an azine, Cï£N-Nï£C) as was already known fro...
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2013
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| 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 |
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| Sumario: | 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. |
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