On the ultrafast infrared spectroscopy of anion hydration shell hydrogen bond dynamics.
Molecular Dynamics simulations are used to examine the title issue for the I-/HOD/D2O solution system in connection with recent ultrafast infrared spectroscopic experiments. It is argued that the long "modulation time" associated with the spectral diffusion of the OH frequency, extracted in these experiments, should be interpreted as reflecting the escape time of an HOD from the first hydration shell of the I- ion, i.e., the residence time of an HOD in this solvation shell. Shorter time features related to the oscillation of the OH ...I- hydrogen bond and the breaking and making of this bond are also discussed.
Nigro
Bruno
B
Département de Chimie, UMR 8640 PASTEUR, Ecole Normale Supérieure, 24 rue Lhomond, 75231 Paris, France. bruno.nigro@ens.fr
Re
Suyong
S
Laage
Damien
D
Rey
Rossend
R
Hynes
James T
JT