Electronic structures of highly-symmetrical compounds of f elements - Part 30. Simulation of the crystal field splitting pattern of tris(bis(trimethylsilyl)amido)erbium (III)

The sigma and pi absorption spectra of an oriented tris(bis(trimethylsilyl)amido)erbium(III) (Er(btmsa)(3)) single crystal were recorded at room and at low temperatures. From the spectra obtained the underlying crystal field (CF) splitting pattern was derived. The parameters of an empirical Hamiltonian (assuming both C-3v and D-3h symmetry of the effective CF) were fitted to this pattern to give reduced r.m.s. deviations of 23.3 and 28.9 cm(-1), respectively, for 45 assignments. The experimental CF splitting patterns of Ln(btmsa)(3) (Ln = Nd, Sm) which were previously analyzed adopting an effective CF of D-3h symmetry were refitted on the basis of C-3v symmetry. (C) 1998 Elsevier Science B.V. All rights reserved.