Substituent Electrophilicities in the Nmr Spectra of Barbituric Derivatives

Caroli-Rezende, M; Almodovar-Fajardo, I

doi:10.1002/mrc.2858

Substituent Electrophilicities in the Nmr Spectra of Barbituric Derivatives

Journal

Magnetic Resonance in Chemistry

ISSN

0749-1581

Date Issued

2012

Author(s)

Caroli-Rezende, M

Almodovar-Fajardo, I

DOI

https://doi.org/10.1002/mrc.2858

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 ? ?, in an example of the usefulness of these DFT-based indices. Copyright © 2012 John Wiley & Sons, Ltd.