|
|||||
|
|
Substituent electrophilicities in the NMR spectra of barbituric derivatives |
|
| Authors: | Marcos Caroli Rezende Iriux Almodovar |
| Affiliation: | Facultad de Química y Biología, Universidad de Santiago, , Santiago, Chile |
| Abstract: | Comparison of the 1H and 13 C NMR spectra of a series of substituted 5‐benzylidene‐N,N′‐dimethylbarbituric acids (1) revealed chemical‐shift variations of different centers that correlated with the theoretical electrophilicities or with the substituent electrophilic constant σω , in an example of the usefulness of these DFT‐based indices. Copyright © 2012 John Wiley & Sons, Ltd. |
| Keywords: | electrophilicity index electrophilicity substituent constants substituted 5‐benzylidene‐N,N′ ‐dimethylbarbituric acids |