Computer Simulation of the Destruction of the Organic Lanthanide Complexes under Ionizing Radiation

Abstract

The calculation of defects in the structures of the Sc, La, Nd, Sm, Tb, and Yb complexes with substituted phenolate and naphtholate ligands formed under the action of neutrons with a mean energy of 2 MeV shows that the shifts of the target atoms depend on their masses and can achieve 1 μm for O, N, and S. A similar result is obtained for the calculation of the destruction of the Eu(TTA)₃(DME)₂ complex (HTTA is thenoyltrifluoroacetone). However, the treatment of the samples with the n,γ radiation does not result in destruction. Possible reasons for the found divergence between the calculated and experimental data are discussed.