Electronic structures of organometallic complexes of f elements. LV. Parametric analysis of the crystal field splitting pattern of tris(bis(trimethylsilyl)methyl)neodymium(III)

摘要

The sigma and pi absorption spectra of an oriented single crystal of tris(bis(trimethylsilyl)methyl)neodymium(III) have been measured at room temperature and approximately 90 K. Besides, the absorption spectrum of polycrystalline material has been recorded at some 5 K. From the spectra obtained, a truncated crystal field splitting pattern is derived, and simulated by fitting the parameters of a phenomenological Hamiltonian. For 55 assignments, a reduced r.m.s. deviation of 28.3 cm(-1) is achieved. The parameters derived allow the estimation of the crystal field strength associated with the bis(trimethylsilyl)methyl ligand, the insertion of this ligand into truncated empirical nephelauxetic and relativistic nephelauxetic series, and the setup of experimentally-based non-relativistic and relativistic molecular orbital schemes in the f range. (C) 2002 Elsevier Science B.V. All rights reserved. [References: 33]