Electronic structures of highly symmetrical compounds of f elements. 42 - Derivation and simulation of the crystal field splitting pattern of tris(bis(trimethylsilyl)amido)ytterbium(III)

Tris(bis(trimethylsilyl)amido)ytterbium(III), (Yb(btmsa)(3) (1)) was grown as a single crystal of the size 6x2x2 mm. The unpolarized absorption and luminescence as well as the sigma and pi absorption spectra of this crystal were recorded at room and low temperatures. The observed polarization properties as well as identificational calculations allowed the separation of zerophonon- and phonon-assisted transitions of comparable intensities. The thus derived crystal field splitting pattern could be simulated by fitting the free parameters of a phenomenological Hamiltonian. In order to assign the coupling vibrations, FIR/MIR- and unpolarized Raman spectra of 1 as well as polarized Raman spectra of Y(btmsa)(3) (2) were recorded and compared with previously assigned ones of MeGa(btmsa)(2) and H(btmsa).