Research Article
Prediction of the Linear and Nonlinear Optical Properties of a Schiff Base Derivatives via DFT
Table 2
Solvent media polarity parameter and static dielectric constant, as in ref. [
16].
| Solvent medium | | ε | |
| Water | 1.00 | 78.355 | protic | Formamide | 0.775 | 108.940 | protic | Methanol | 0.762 | 32.613 | protic | FormicAcid | 0.728 | 51.100 | protic | n-MethylFormamide-mixture | 0.722 | 181.560 | protic | Ethanol | 0.654 | 24.852 | protic | 1-Butanol | 0.586 | 17.332 | protic | Acetonitrile | 0.460 | 35.688 | aprotic | DMSO | 0.444 | 46.826 | aprotic | 2-Methyl-2-Propanol | 0.389 | 12.470 | protic | Acetone | 0.355 | 20.493 | aprotic | DiChloroEthane | 0.327 | 10.125 | aprotic | DichloroMethane | 0.309 | 8.930 | aprotic | Chloroform | 0.259 | 4.711 | nonpolar | Tetrahydrofuran | 0.207 | 7.426 | aprotic | ChloroBezene | 0.188 | 5.697 | aprotic | Toluene | 0.099 | 2.374 | nonpolar | Heptane | 0.012 | 1.911 | nonpolar |
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