Electron spin resonance spectrum of the 2,4,5-triphenylimidazolyl radical

Abstract

An improved e.s.r. spectrum of the 2,4,5-triphenylimidazolyl radical is reported. By means of the e.s.r. spectra of the partially and completely deuteriated radicals and simple molecular orbital calculations, assignments of the splitting constants have been made. Adjustment of the MO parameters to give the best fit with the experimental data leads to a set of parameters to assist in the interpretation of e.s.r. spectra of substituted imidazolyl radicals.