Electron Spin—Spin Interaction in Higher Molecular Spin Multiplets

Abstract

The electron spin—spin interaction in molecular spin multiplets was investigated by classifying the three types, that is n—π, π—π, and n—n interactions. The n—π interaction is usually much greater than the others because of the large atomic contribution which arises from the orbitals being perpendicular to each other. On the other hand, the other types come from only the interatomic interaction. In a multiplet state larger than triplet, the D and E values in general appear as arithmetical averages among the interactions concerned. As an example, the numerical calculation was carried out for two series of m−C6H4(CH)m(CH2)n[m+n=2] and 1,3,5−C6H3(CH)m(CH2)n[m+n=3].