On UV-Vis spectra and structure of the anticancer drug camptothecin in solutions

- UV-Vis spectra of camptothecin (CPT) in solutions are measured.
- B3LYP and B97D geometry optimizations of CPT and its π-dimer.
- TD-DFT electron transitions in solutions are evaluated using IEF-PCM model.
- CPT dimers formation explains two strong peaks at the highest wavelengths.