Abstract
The oscillator strengths of the f-f hypersensitive transitions of lanthanide tribromides (LnBr3; Ln = Pr through Tm except for Gd) were calculated by the multi-reference spin-orbit configuration interaction method. To examine previously proposed mechanisms, the Judd-Ofelt intensity parameters τ2 based on the dynamic-coupling model were evaluated and compared with those by the CI calculations. The calculated intensity parameters had a similar magnitude, implying that the dynamic-coupling model has a dominant contribution to the intensities. The difference between the two parameters is discussed in terms of the effects of polarization shielding and ligand-to-metal charge transfer.
Original language | English |
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Pages (from-to) | 193-198 |
Number of pages | 6 |
Journal | Chemical Physics Letters |
Volume | 504 |
Issue number | 4-6 |
DOIs | |
Publication status | Published - 2011 Mar 10 |
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry