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The absorption and luminescence spectra of polycrystalline tris(hydrotris(1-pyrazolyl)borato)-praseodymium(III) (PrTp(3)) were measured at room temperature as well as at low temperatures. At room temperature the polarized luminescence spectra of a small oriented PrTp(3) single crystal could also be recorded. On the basis of these spectroscopic findings the underlying crystal field splitting pattern could be derived, and simulated by fitting the free parameters of a phenomenological Hamiltonian, achieving a reduced r.m.s. deviation of 17.3 cm {- 1} for 37 assignments. On the basis of the parameters used, the global ligand field strength experienced by the Pr{3+} central ion as well as the individual ligand field strength associated with one Tp ligand are determined, nephelauxetic and relativistic nephelauxetic effects are estimated, and the experimentally orientated non-relativistic and relativistic molecular orbital schemes in the f range are set up.

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Authors: AMBERGER H-D, Institut für Anorganische und Angewandte Chemie, Universität Hamburg (DE);REDDMANN H, Institut für Anorganische und Angewandte Chemie, Universität Hamburg (DE);APOSTOLIDIS C, European Commission, Joint Research Centre, Institute for Transuranium Elements, Karlsruhe (DE);KANELLAKOPOULOS B, Institut für Teknische Chemie, Forschungszentrum Karlsruhe (DE)
Bibliographic Reference: An article published in: Zeitschrift für anorganische und allgemeine Chemie, Volume 629, Issue 1, (2003). pp. 147-160
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