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

为了完成该项目，计划对伪三角平面Yb（eta 5-C5 H4 Me）3的低温发光光谱（5 K，77 K）进行分析，以阐明其基态多重峰2F 7/2的晶场分裂模式。随后，将该数据与已知的激发多重态2F 5/2相结合，并且通过拟合唯象哈密顿量的自由参数来模拟由此实验导出的电子结构。（η 5-C5 Me 5）3-、Ln（η 5-C5 Me 4 H）3-（两者：Ln = La、Sm）和La（C5 H5）3*（NCCH 3）2单晶及其FIR/MIR光谱（聚乙烯/KBr粒料）应与基于密度泛函理论近似计算的光谱进行比较。

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.