Table 1. The Symmetry Groups and Corresponding Non-Zero Molecular Hyperpolarizabilities of the Harmonophores Together with the Symmetry Groups of the Calculated Susceptibilitiesa.
Symmetry of the harmonophore | Non-zero β components | Symmetry of susceptibility | SHG-CD response |
---|---|---|---|
C∞v, (β2 = β1) | zzz, zxx = zyy, xxz = xzx = yyz = yzy | C∞v | no |
C∞v, (β2 ≠ β1) | zzz, zxx = zyy, xxz = xzx = yyz = yzy | C∞ | yes |
C2v, (β2 = β1) | zzz, zxx, zyy, xxz = xzx, yyz = yzy | C∞ | yes |
aThe possibility for SHG-CD responses is shown in the last column.