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Experimental measurements and theoretical calculations of the chemical shifts and coupling constants of three azines (benzalazine, acetophenoneazine and cinnamaldazine)

✍ Scribed by Artur M. S. Silva; Regina M. S. Sousa; María Luisa Jimeno; Fernando Blanco; Ibon Alkorta; José Elguero

Publisher
John Wiley and Sons
Year
2008
Tongue
English
Weight
144 KB
Volume
46
Category
Article
ISSN
0749-1581

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✦ Synopsis

Abstract

Three azines, two of them doubly labeled with ^15^N, 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. Copyright © 2008 John Wiley & Sons, Ltd.

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