Short-range and long-range solvent effects on charge-transfer-to-solvent transitions of I- and K+I- contact ion pair dissolved in supercritical ammonia.

@article{Sciaini2007ShortrangeAL,
  title={Short-range and long-range solvent effects on charge-transfer-to-solvent transitions of I- and K+I- contact ion pair dissolved in supercritical ammonia.},
  author={Germ{\'a}n Sciaini and Roberto Fern{\'a}ndez-Prini and Dario A. Estrin and Ernesto Marceca},
  journal={The Journal of chemical physics},
  year={2007},
  volume={126 17},
  pages={
          174504
        }
}
Vertical excitation and electron detachment energies associated with the optical absorption of iodide ions dissolved in supercritical ammonia at 420 K have been calculated in two limiting scenarios: as a solvated free I- ion and forming a K+I- contact ion pair (CIP). The evolution of the transition energies as a result of the gradual building up of the solvation structure was studied for each absorbing species as the solvent's density increased, i.e., changing the NH3 supercritical… CONTINUE READING