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Molecular Orbital Diagram for Tetrahedral Compound

  1. Nov 4, 2014 #1
    1. The problem statement, all variables and given/known data
    I'm trying to construct a molecular orbital correlation diagram for a tetrahedral compound [NiX4]2- considering the ligand pi-orbital basis. I've already constructed a diagram wherein the only the sigma-orbital basis is considered. In that diagram, I had 12 electrons for the nickel (10 in 3d - 6 with T2 symmetry and 4 with E symmetry; 2 in 4s with A1 symmetry) and 4 electrons for the 4 ligand sigma orbitals (3 with T2 symmetry and 1 with A1 symmetry).

    I've determined that the ligand pi-orbital basis is represented by T2+T1+E...I'm just having trouble filling in the electrons at this point.

    Assuming that the ligand is a halogen or similar pi-donor (so the complex has 16 electrons overall), I don't think the ligand pi-orbital basis can remain empty as this would result in a similar diagram to the sigma only case. But I don't know how to place my electrons. Can someone please provide some guidance? The T1 orbitals will stay nonbonding, and it would be nice to have the 3d electrons with E symmetry interact with the ligand pi-orbitals with E symmetry, but I don't know how to make this work...

    2. Relevant equations

    3. The attempt at a solution
    See above for description.
  2. jcsd
  3. Nov 10, 2014 #2
    Thanks for the post! Sorry you aren't generating responses at the moment. Do you have any further information, come to any new conclusions or is it possible to reword the post?
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