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. 2024 Mar 27;14(15):10199–10208. doi: 10.1039/d4ra00820k

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