An interesting configuration isomerism of the indole-(water) anion was revealed via calculations. Two local minima were predicted to exist on the anion potential energy surface. The first corresponds to a DB anion that was already described in previous calculations, and the second corresponds to a system where the excess electron is suspended between the indole and water molecules. The two peaks were assigned to the dipole-bound anion and AISE.
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry