Solvent Dependency of the UV-Vis Spectrum of Indenoisoquinolines: Role of Keto-Oxygens as Polarity Interaction Probes
Figure 6
Localization of MOs involved in TD-DFT transitions.
A–B) Isodensity surface, enclosing values between −0.05 to +0.05 (red negative values, blue positive values), of the difference of NSC314622 MOs involved in transition at 290 nm (T1) and at 270 nm (T2) (see text for details). C–D) Isodensity surface of the change of T1 and T2 when passing from CCl4 to DMSO. The values of T1 and T2 change range from −0.19 to +0.05. In the Figure are reported the surfaces enclosing the region where the values is between −0.01 and +0.01, in red negative values and blue positive values.