Table 4.
Computed intersection and excitation wavelengths in (nm), optical energy gap in (eV), and fluoresence quantum yield of dimine product 4 at TD-DFT/B3LYP/6-31+G(d).
Gas phase | 511 | 2.43 | 400 | 0.13 |
Tetrachloromethane | 529 | 2.34 | 0.15 | |
Chloroform | 548 | 2.26 | 0.17 | |
Acetonitrile | 568 | 2.18 | 0.18 | |
Dimethylformamide | 566 | 2.19 | 0.18 | |
Dimethylsulfoxide | 567 | 2.19 | 0.18 | |
Ethanol | 566 | 2.19 | 0.18 | |
Heptane | 526 | 2.36 | 0.15 |