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Issue 11, 2002
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Optical spectroscopy and crystal-field analysis of U3+ : Ba2YCl7

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Abstract

High resolution absorption spectra of a U3+(0.3%) : Ba2YCl7 single crystal were recorded in the 4000–50 000 cm−1 range at 7 K. The observed crystal-field levels were assigned and fit to the parameters of the simplified angular overlap model (AOM) as well as a semi-empirical Hamiltonian representing the combined atomic and one-electron crystal-field interactions. The starting values of the AOM parameters were obtained from ab intio calculations. The analysis of the spectra allowed the assignment of 65 crystal-field levels with a relatively small rms deviation of 25 cm−1 and has shown that the AOM approach can predict quite well the Bkq crystal-field parameters. The value determined for the crystal-field strength parameter, Nv corresponds well with those determined for U3+ in other chloride single crystals.

Graphical abstract: Optical spectroscopy and crystal-field analysis of U3+ : Ba2YCl7

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Publication details

The article was received on 07 Mar 2002, accepted on 09 Aug 2002 and first published on 18 Oct 2002


Article type: Paper
DOI: 10.1039/B202707K
New J. Chem., 2002,26, 1651-1657

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    Optical spectroscopy and crystal-field analysis of U3+ : Ba2YCl7

    M. Karbowiak, A. Mech, J. Drożdżyński, Z. Gajek and N. M. Edelstein, New J. Chem., 2002, 26, 1651
    DOI: 10.1039/B202707K

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