The McConnell equation for E.S.R. spectra of symmetrical diazanaphthalenes

Abstract

Electron spin resonance spectra of the six symmetrical diazanaphthalene anions in N,N-dimethylformamide have been measured. The anions were generated within the microwave cavity by electro-reduction of the parent compound. The McConnell equation all= 0CC H pc has been tested for the diazanaphthalenes with pc values calculated by the Hiickel method and by the Pariser-Parr-Pople S.C.F. method with variable resonance integrals.

Electron spin resonance study of some polycyclic nitrogen heterocyclic radical anions

“…[3][4][5]7,8,13,14 These are only two of a considerable number of nitrogen heterocyclic radical anions whose 14N and 'H hyperfine splitting constants have been The hyperfine splitting constants in most of these ESR spectra have been assigned with the aid of 7~ spin density calculations using the simple relationship U H = QCH P to predict 'H hyperfine splitting constants and a similar relationship, and pN obtained employing the McLachlan modification." This latter approach has particular value when the simple Huckel calculation predicts a small (or zero) unpaired electron density, and usually results in a more satisfactory agreement with experimental values.…”