THE TWO ELECTRON (OR HOLE) CUBIC AND NON-CUBIC LIGAND FIELD SPECTRUM.
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Date
1965
Journal Title
Journal ISSN
Volume Title
Publisher
Ohio State University
Abstract
The most general set of secular equations for a $kd^{2.3}, (k=3,4,5)$, transition metal complex in cubic, quadrate, trigonal, and cylindrical fields which are allowed by the fundamental approximations of ligand field theory have been derived in a wide variety of representations and bases. Proceeding as in the previous investigations of the $kd^{n}, (n=1,2,3,4,5,6,7,8,9)$, problems in cubic environs$^{1-6}$ we have computed the variation of the energy as a function of the spin-orbit constant $\zeta$, the electron correlation integrals B and C, and the ligand field parameters Dq (cubic), Dq, Ds, and Dt (quadrate), Dq, $D\sigma$, and $D\tau$ (trigonal), and $D^{\mathfrak{s}}$ and $D^{t}$ (cylindrical). Employing a fixed ratio for C/B (usually at the University of Pittsburgh. The results obtained have been plotted and will be presented in graphical forms. The usefulness of these energy diagrams for the interpretation of the spectroscopic properties of compounds of two electron (and hole) configuration in quadrate, trigonal, and cylindrical fields will be underscored and a discourse on the appropriateness and practicality of the different theoretical bases and representations employed will be given.
Description
$^{1}$ A. D. Liehr, J. Phys. Chem. 64, 43 (1960). $^{2}$ A. D. Liehr and C. J. Ballhausen, Ann. Phys. (N.Y.) 6, 134 (1959). $^{3}$ A. D. Liehr, J. Phys. Chem. 67, 1314 (1963). $^{4}$ A. D. Liehr, Symposium on Molecular Structure and Spectroscopy, The Ohio State University, Columbus, Ohio, June 15-19, 1964. $^{5}$ A. D. Liehr, Symposium on the Structure and Properties of Coordination Compounds, Bratislava, Czechoslovakia, September 2-4, 1964. $^{6}$ A. D. Liehr, Symposium on Molecular Structure and spectroscopy, The Ohio State University, Columbus, Ohio, June 14-18, 1965.
Author Institution: Mellon Institute, 4400 Fifth Avenue
Author Institution: Mellon Institute, 4400 Fifth Avenue