3d Orbital Orientation in a Linear Crystal Field

In the crystal field model, ligands are treated as infinitesimally small (negative) point charges (represented by white spheres in the figures below). The orientation of each of the five unhybridized d orbitals in a linear geometry is shown below. Note that only the total electron density is shown for each orbital, i.e., the phases for each orbital are not shown.

dxy

x-axis = yellow
y-axis = green
z-axis = blue

Note that the electron density lies in the x-y plane, perpendicular to the z-axis (i.e., the lobes of the orbital do not point directly at any of the point charges).

dxz

x-axis = yellow
y-axis = green
z-axis = blue

Note that the electron density lies in the x-z plane. Although the lobes of the orbital do not point directly at any of the point charges, the electron density is distributed toward the point charges.

dyz

x-axis = yellow
y-axis = green
z-axis = blue

Note that the electron density lies in the y-z plane. Although the lobes of the orbital do not point directly at any of the point charges, the electron density is distributed toward the point charges.

dx2-y2

x-axis = yellow
y-axis = green
z-axis = blue

Note that the electron density lies in the x-y plane, perpendicular to the z-axis (i.e., the lobes of the orbital do not point directly at any of the point charges).

dz2

x-axis = yellow
y-axis = green
z-axis = blue

Note that the electron density lies directly in line with the point charges on the z axis (i.e., the lobes of the orbital point directly at the point charges).