Solvent Dependency of the UV-Vis Spectrum of Indenoisoquinolines: Role of Keto-Oxygens as Polarity Interaction Probes
Figure 4
TD-DFT vs. UV-Vis for NSC314622.
Comparison of UV/Vis absorption spectra of the indenoisoquinoline NSC314622 in CCl4 (red line) and in DMSO (black line) with TD-DFT calculated transitions. The inset represents a close-up view of the absorption in the 300–400 nm interval. The TD-DFT transitions (dashed vertical lines), calculated in CCl4 and DMSO using C-PCM, are reported as red and black circles respectively and the wavelength of the transitions are annotated. The OS are all rescaled by a factor of 0.25 in order to permit a direct visual comparison with experimental spectra.