Affiliation:
1. Department of Chemistry, North Dakota State University, Fargo, North Dakota
Abstract
Abstract
The complete set of energy matrices for tetragonal d3 systems, including spin-orbit coupling, has been constructed within the framework of the Angular Overlap Model. Examples are presented of the variation in energy of the intraconfigurational (t3
2g) doublets as a function of spin-orbit coupling (appropriate to first row metal ions) and ligand field asymmetry. It is seen that asymmetry in Dq values is much less important than the relative partitioning of Dq into eσ and eπ. The use of spin-orbit matrix elements in the calculation of intensities of spin-forbidden transitions is also illustrated.
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy,Mathematical Physics
Cited by
14 articles.
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