Spin Densities in Azo-Type Radical Anions

Abstract

Various methods of calculating 14N hyperfine splittings are compared with the experimental splitting constants observed for benzo[c]cinnoline, trans-azobenzene, and 1,4-dimethyltetrazine radical anions in dimethyl sulfozide [80%]—t-butyl alcohol [20%] solution. The theory of Stone and Maki gives reasonable results although better argument is obtained by use of a modified value for QCNN of 13.8 G.