Molecular Orbital Diagram for Tetrahedral Compound

In summary, the individual is seeking guidance in constructing a molecular orbital correlation diagram for a tetrahedral compound [NiX4]2-, specifically considering the ligand pi-orbital basis. They have already constructed a diagram with the sigma-orbital basis, but are having trouble filling in the electrons for the ligand pi-orbitals. They believe that the ligand pi-orbitals cannot remain empty and are looking for guidance on how to place the electrons, particularly in regards to the interaction between the 3d electrons with E symmetry and the ligand pi-orbitals with E symmetry.
  • #1
rmjmu507
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Homework Statement


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...

Homework Equations


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The Attempt at a Solution


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  • #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?
 

1. What is a molecular orbital diagram for a tetrahedral compound?

A molecular orbital diagram for a tetrahedral compound is a graphical representation of the molecular orbitals formed by the overlapping of atomic orbitals in a tetrahedral molecule. It shows the distribution of electrons in the molecule and predicts its stability and reactivity.

2. How is a tetrahedral compound different from other molecular shapes?

A tetrahedral compound is characterized by four bonded atoms arranged symmetrically around a central atom. This differs from other molecular shapes, such as linear or trigonal planar, which have a different number and arrangement of bonded atoms.

3. What is the significance of the molecular orbital energy levels in a tetrahedral compound?

The energy levels of molecular orbitals in a tetrahedral compound determine the electronic structure and stability of the molecule. Lower energy levels are more stable and correspond to filled orbitals, while higher energy levels are less stable and correspond to empty orbitals.

4. How do lone pairs affect the molecular orbital diagram of a tetrahedral compound?

Lone pairs of electrons occupy higher energy levels in a molecular orbital diagram, and their presence can affect the overall stability of the molecule. In a tetrahedral compound, lone pairs may occupy the higher energy orbitals, leading to a distorted or non-symmetric molecular orbital energy diagram.

5. Can the molecular orbital diagram of a tetrahedral compound be used to predict its properties?

Yes, the molecular orbital diagram of a tetrahedral compound can provide information about the molecule's stability, reactivity, and chemical properties. It can also be used to predict the type of bonding (covalent or ionic) and the nature of the bonds (polar or nonpolar) in the molecule.

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