A theoretical investigation of the temperature dependence of the quadrupole splitting of low spin ferric compounds

Abstract

A method is indicated whereby the quadrupole splitting arising from the d-electrons and the contribution from the crystalline matrix can be determined from the experimental Mössbauer spectra. The general temperature dependence of the quadrupole splitting of the low spin ferric compounds is first calculated from the experimental g-tensor and then for the case when the iron atom is in a strong crystal field of tetragonal symmetry. Covalency effects are also considered. The parameter e 2 Q' r -3> is determined as 8·9 mm/sec which not only suggests screening effects in these complexes but enables an estimate of the degree of bonding of the iron with the ligands.