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

• Applicant: Professor Dr. Hanns-Dieter Amberger (†)
• Subject Area: Inorganic Molecular Chemistry - Synthesis and Characterisation ; Physical Chemistry of Molecules, Liquids and Interfaces, Biophysical Chemistry
• Term: from 2007 to 2014
• Project identifier: Deutsche Forschungsgemeinschaft (DFG) - Project number 46609380

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.

• DFG Programme: Research Grants