On the quadrupole splitting of a low-spin Iron(III)-Dithio Chelate

The magnetically perturbed Mössbauer spectra of iron(III) (dithioacetylacetonate)₃ show V_zz<0 corresponding to a d_xy hole and a²A ground term. These results support a recent study of the temperature dependence of the quadrupole splitting and suggest that the origin of the quadrupole splitting is primarily in the distribution of non-bonding electrons.