Submitted by Kevin Kittilstved / University of Massachusetts Amherst on Tue, 10/11/2011 - 18:37
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I've been teaching upper-level advanced inorganic and just wanted to alert the Shriver & Atkins users that the Tanabe-Sugano diagrams for the d2 and d8 electronic configurations are incorrect. It's subtle, but a nuisance nonetheless.

The second problem with the d2 (and the d8) TS diagram is the 1E(1D) state crosses the 1T2(1D) state at strong ligand fields. (Look at the energies of the other 1Eg and 1T2g terms arising from the 1G free ion term. From configuration interaction considerations it is clear that these diagrams have a problem.)

I have attached correct TS diagrams for those using Shriver & Atkins with stated C/B ratios. For those of you that would like to make your own diagrams then the energies of the triplet states are as follows (for d8 change the sign of the Δo/B).

cheers,
Kevin