On the ultrafast infrared spectroscopy of anion hydration bond dynamics

The molecular dynamics simulations were performed to investigate the key concern related to the ultrafast infrared spectroscopic experiments for OH frequency for HOD molecules in the hydration shell of the [I.super.-] ion solution system. An argument is made to the effect that the long modulation time related to the spectral diffusion of the OH frequency should be interpreted as showing the escape time of an HOD from the first hydration shell of the [I.super.-] ion.