Please use this identifier to cite or link to this item: http://hdl.handle.net/10261/34513
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Título : Experimental measurements and theoretical calculations of the chemical shifts and coupling constants of three azines (benzalazine, acetophenoneazine and cinnamaldazine)
Autor : Silva, Artur M. S., Sousa, Regina M. S., Jimeno, M. Luisa, Blanco, Fernando, Alkorta, Ibon, Elguero, José
Palabras clave : NMR
H1
C13
N15
CPMAS
GIAO
benzalazine
acetophenoneazine
cinnamaldazine
Fecha de publicación : 2008
Editor: John Wiley & Sons
Resumen: Three azines, two of them doubly labeled with 15N, have been studied by multinuclear magnetic resonance in solution and in the solid state. The spectral parameters obtained by iterative analyses have been compared with DFT/B3LYP calculated values (absolute shieldings and coupling constants). The agreement is generally good. Some anomalies have been discussed in relation to the structure of these compounds.
Versión del editor: http://dx.doi.org/10.1002/mrc.2272
URI : http://hdl.handle.net/10261/34513
ISSN: 0749-1581
DOI: DOI 10.1002/mrc.2272
Citación : Magnetic Resonance in Chemistry 46 (9) : 859–864 (2008)
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