The absorption spectrum of tris[hydrotris(1pyrazolyl)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 UIII compounds, and the setup of
experimentally based nonrelativistic and relativistic molecular orbital schemes 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.
APOSTOLIDIS Christos;
MORGENSTERN Alfred;
REBIZANT J.;
KANELLAKOPOULOS Basil;
WALTER Olaf;
POWIETZKA Bernhard;
KARBOWIAK Miroslav;
REDDMANN H.;
AMBERGER H.D.;
2010-01-19
WILEY-V C H VERLAG GMBH
JRC55026
0044-2313,
https://publications.jrc.ec.europa.eu/repository/handle/JRC55026,
10.1002/zaac.200900271,
This document is only visible at the Commission level.
You are not authorized to publish or distribute it outside the European Commission.
This is a public document. You can share this publication.
Additional supporting files
| File name | Description | File type | |
|---|
