Inelastic neutron scattering on a d1-d1-2 mixed-valence trimer cluster

We have carried out the calculations for inelastic neutron scattering spectra for thermal neutrons scattering on amixed-valence trimer d¹-d¹-d² cluster, and we have investigated the selection rules. The forbidden transitions include the A₁ A₂ transitions, independently of spin, as well as the¹A₂ ¹E transition. The rest of the transitions with S = 0, 1 are allowed, and in turn are subdivided according to intensity into strong and weak transitions. The scattering cross sections of the latter include the differences in the form factors of the mixedvalence ions (the indicated form factors are close) and are small in magnitude. The scattering cross sections and the line positions in the spectrum depend considerably on the tunneling and exchange parameters of the cluster.Translated from Teoreticheskaya i Éksperimental'naya Khimiya, Vol. 25, No. 3, pp. 329–332, May–June, 1989.