Erstmalige parametrische Analyse des Absorptionsspektrums einer Molekülverbindung des trivalenten Urans: Tris(hydrotris(1-pyrazolyl)borato)uran(III)

Hanns-Dieter Amberger (1) , Hauke Reddmann (1)

1 Fachbereich Chemie

The absorption spectrum of tris(hydrotris(1-pyrazolyl)borato)uranium(III) (UTp₃) was run at room and low temperatures. From the spectra obtained, a truncated crystal field (CF) splitting pattern could be derived, and simulated by fitting the free parameters of a phenomenological Hamiltonian achieving an r.m.s. deviation of 37.7 cm^-1 for 29 assignments. The parameters used allow the insertion of the Tp ligand into empirical spectrochemical, nephelauxetic and relativistic nephelauxetic series of U^III compounds, and the set-up of experimentally based nonrelativistic and relativistic molecular orbital scheme of UTp₃ in the f range. Using the wavefunctions and eigenvalues of the fit, the experimentally determined temperature dependence (in the range 1.34 - 294.4 K) of μ²_eff could be reproduced adopting an orbital reduction factor k = 0.99.

Mots clés: Physical Sciences

Hanns-Dieter Amberger, Hauke Reddmann. Erstmalige parametrische Analyse des Absorptionsspektrums einer Molekülverbindung des trivalenten Urans: Tris(hydrotris(1-pyrazolyl)borato)uran(III). Journal of Inorganic and General Chemistry / Zeitschrift für anorganische und allgemeine Chemie, 2009, 636 (1), pp.201. ⟨10.1002/zaac.200900271⟩. ⟨hal-00515812⟩