Dipole moment, polarizability and hyperpolarizability values obtained at CAM-B3LYP/6-311++g(d,p) level of theory.
| Substance | μ (D) | α 0 (×10−24 esu) | Δα (×10−24 esu) | β tot (×10−30 esu) | β 0 (×10−30 esu) | γ (×10−36 esu) |
|---|---|---|---|---|---|---|
| Studied compound 5 | 2.911 | 56.250 | 49.839 | 30.909 | 18.546 | 212.464 |
| Urea | 3.875 | 4.823 | 1.964 | 0.768 | 0.461 | 2.941 |
| (E)-1-(1,3-Benzodioxol-5-yl)-4,4-dimethylpent-1-en-3-one45 | 3.546 | 27.625 | 21.645 | 21.550 | 12.930 | 44.189 |
| (2E)-1-(1,3-Benzodioxol-5-yl)-3-phenylprop-2-en-1-one (SSP1)46 | 3.011 | 31.346 | 31.145 | 5.398 | 3.239 | 67.879 |