What is the significance of the 3dx2−y2 atomic orbital?

1 Answer
Truong-Son N.
Jul 5, 2017

Significance? Well, it corresponds to one of the magnetic quantum numbers in the set ml={−2,−1,0,+1,+2}, and has ml=−2 by convention.

The 3dx2−y2 orbital is the one lying along the axes:

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COMMON BONDING CASES

Because of that, it is often used to σ (sigma) bond with surrounding ligands, particularly in a transition metal complex. You'll see a strong contribution from this orbital most often in...

square planar complexes:

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and octahedral complexes:

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ENERGIES

In an atom, it is degenerate with the other four 3d orbitals, the dz2, dxy, dxz, and dyz.

In a complex, the d orbitals split in accordance with their symmetry (horizontal correspondence) and energy (vertical separations) with respect to the other d orbitals:

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(For the octahedral complex, the symmetries from top to bottom were Eg and T2g, and for the square planar complex, the symmetries from top to bottom are B1g, B2g, A1g, and Eg.)

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