Computational study on the ion interaction of ellipticine: A theoretical approach toward selecting the appropriate anion

- Ellipticine is a pyridocarbazole type plant alkaloid having cytotoxic activity against tumor cells.
- The pyrrolic hydrogen of ellipticine strongly and selectively interacts with the fluoride anion.
- The interaction is driven by pure hydrogen bonding in the ground state (S0).
- In the first excited state (S1), the hydrogen bonding even becomes stronger and may result to charge transfer complex (CT).