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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
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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.
Keywords (Audience):
Upper-Division UndergraduateKeywords (Domain):
DemonstrationsKeywords (Subject):
Group Theory / SymmetryCiting Articles
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This article has been cited by 1 ACS Journal articles (1 most recent appear below).
A New Method for Obtaining Russell−Saunders Terms
Ying Liu and Yue Liu , Bihui LiuJournal of Chemical Education2011 88 (3), 295-298A New Method for Obtaining Russell−Saunders Terms
Ying Liu and Yue Liu , Bihui LiuJournal of Chemical Education2011 88 (3), 295-298A new method for obtaining Russell−Saunders terms of atomic configurations is reported. This new method is significantly different from, while at the same time complementary to, previously published methods for obtaining atomic terms. This novel procedure ...
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History
- Received: August 03, 2009
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