LD-spectroscopic acquirement and identification as well as simulation of electronic structures of homoleptic organometallic pi complexes of the lanthanides

点击翻译按钮获取中文摘要

To finalize this project it is planned to interprete the low temperature luminescence spectra (5 K, 77 K) of pseudo trigonal planar Yb(eta5-C5H4Me)3 in order to elucidate the crystal field splitting pattern of its ground multiplet 2F7/2. Subsequently, this data shall be combined with the already known of the excited multiplet 2F5/2, and the thus experimentally derived electronic structure shall be simulated by fitting the free parameters of a phenomenological Hamiltonian.The already available "polarized" Raman spectra of oriented Ln(eta5-C5Me5)3-, Ln(eta5-C5Me4H)3- (both: Ln = La, Sm) and La(C5H5)3*(NCCH3)2 single crystals as well as their FIR/MIR spectra (polyethylene/KBr pellets) shall be compared with the ones computed on the basis of the density functional theory approximation.