THE THREE ELECTRON (OR HOLE) CUBIC LIGAND FIELD SPECTRUM: PART II.$^{\ast}$ COMPARISON WITH EXPERIMENT

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1962

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Ohio State University

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The theoretical dependence of the energy with respect to the ligand field coulombic (Dq). spin orbit ($\lambda$) and electron correlation (B,C) parameters derived previously for $kd^{3}. (k=3,4,5)$ transition metal ions has been applied to a variety of new experimental data. The results for six $Cr^{3+} (3d^{3})$ and five $Co^{2+} (3d^{7})$ systems in essentially octahedral environments have been used to determine the ligand field parameters from a large number of spin forbidden and spin allowed transitions. It has then been possible to test the theories of nephelauxetic shifts and spectrochemical ligand series and to investigate the effect of next nearest neighbor polarization on crystal field parameters. It is concluded that the present theory for the energy levels of these ions agrees well with experiment.

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$^{\ast}$A. D. Liehr, Symposium on Molecular Structure and Spectroscopy, The Ohio State University, Columbus, Ohio, June 12-16, 1961, paper H3. $^{\ast\ast}$Present Address: Mellon Institute, 4400 Fifth Avenue, Pittsburgh 13. Pennsylvania.
Author Institution: Bell Telephone Laboratories, Inc., Murray Hill

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