A covalent fraction model for lanthanide compounds
authors Carlos, LD; Malta, OL; Albuquerque, RQ
nationality International
journal CHEMICAL PHYSICS LETTERS
keywords CRYSTAL-FIELD PARAMETERS; RARE-EARTH IONS; OVERLAP POLARIZABILITY; COMPLEXES; SPECTROSCOPY; EU-3
abstract We formalize the ordinal covalency scale for lanthanide compounds, introduced in a previous work, through an analytical function (the covalent fraction) of the overlap polarizability. The inverse of a parameter appearing in this function is interpreted as a typical average volume of the overlap region. The red shift in the nephelauxetic effect for the D-5(0) -> F-7(0) transition is analyzed, for 15 europium compounds, in terms of the ligand field strength parameter, N-v, and the covalent fraction. A clear tendency of this shift to increase with the covalent fraction is observed. A similar trend, though less clear, is also observed with respect to N-v, which is interpreted as a reflection of covalent effects in the ligand field parameters. (c) 2005 Elsevier B.V. All rights reserved.
publisher ELSEVIER SCIENCE BV
issn 0009-2614
year published 2005
volume 415
issue 4-6
beginning page 238
ending page 242
digital object identifier (doi) 10.1016/j.cplett.205.09.001
web of science category Chemistry, Physical; Physics, Atomic, Molecular & Chemical
subject category Chemistry; Physics
unique article identifier WOS:000233736600010
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journal impact factor 2.029
5 year journal impact factor 1.724
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