Chapter
2

Chemistry 210

d orbitals

For the l = 2 case, ml =0, ±1, ±2 and so there are five d-orbitals. The simplest is the 3dz2 wavefunction, whose angular dependence is given by

Y2, 0 (θ φ) =  √5  (3 cos2θ - 1)
16π

This angular part is presented as a polar plot in the figure on the right.

For other values of ml we can take linear combinations like we did for the 2p functions. The customary linear combinations are:

3dxz =  1(Y2, +1 + Y2, -1) =  √15sinθ cosθ cosφ
√24π

3dyz =  1(Y2, +1 + Y2, -1) =  √15sinθ cosθ sinφ
√2i4π

3dx2 - y2 =  1(Y2, +2 + Y2, -2) =  √15sin2θ cos2φ
√216π

3dxy2 - y2 =  1(Y2, +2 + Y2, -2) =  √15sin2θ sin2φ
√2i16π

The angular parts of all five real d orbitals are also given on p.441 of Engel and Reid. Note that the last four orbitals differ only in their orientations, although they look quite distinct mathematically.

Other representations of the various real s, p, and d orbitals include probability densities proportional to the density of dots: