An indo investigation of magnetic resonance constants of azaaromatic systems

INDO–MO calculations have been performed on the ESR hyperfine coupling constants of the pyridinyl radical and the radical anions of pyrimidine, quinoline, isoquinoline, acridine and benzcinnoline. The nuclear spin coupling constants and the ¹⁴N nuclear quadrupole coupling constant of pyridine have also been calculated. In general, calculated values are in satisfactory agreement with the experimental data.