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  Home > JCE Print > Journal of Chemical Education > Issues > 2007  > January  >
Research: Science and Education
Group Theory and Crystal Field Theory: A Simple and Rigorous Derivation of the Spectroscopic Terms Generated by the t2g² Electronic Configuration in a Strong Octahedral Field
Simone Morpurgo
Dipartimento di Chimica, Università degli Studi de Roma “La Sapeinza”, 00185 Roma, Italia
Cover
January 2007
Vol. 84 No. 1
p. 151
Abstract
The present contribution shows a simple and rigorous treatment to derive the spectroscopic terms, with the associated wavefunctions, generated by the t2g2 electronic configuration of a transition-metal complex, where the ligands generate a strong octahedral field. It is shown how to apply the principles of group theory to the problem and, in particular, how to obtain the symmetry properties of the polyelectronic basis functions (Slater determinants) from those of the monoelectronic orbitals they are built on. It is also shown how to derive the correct spin multiplicity of the terms.
More Information
*
Citation
Morpurgo, Simone. J. Chem. Educ. 2007, 84, 151.
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Keywords
Demonstrations; Group Theory; Spectroscopy; Upper-Division Undergraduate
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History
Created:
Last Updated:
12/5/2006
3/19/2007
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