Solution and powder X- and Q-band ESR spectra of the 1,3,5- trithia-2,4, 6-triazapentalenyl radical

From the ESR spectra of the stable 1,3,5-trithia-2,4,6-triazapentalenyl free radical, obtained at two microwave frequencies in both the solution and the solid state, it was shown to be a π radical. From the spectra and their computer simulations were derived an unpaired s-spin population of 1.7% for the unique nitrogen and 0.1% for the two equivalent nitrogens. The corresponding px-spin populations were found to be 43.5% and 1.8%, respectively. The unpaired s-spin population of the two equivalent sulphurs was estimated to be 0.3%.