Ultrafast molecular dissociation of water in ice.
Using x-ray emission and photoemission spectroscopies to measure the occupied valence levels in a thin crystalline ice film, we resolve the ionization-induced dissociation of water in ice on a femtosecond time scale. Isotope substitution confirms proton transfer during the core-hole lifetime in spite of the nonresonant excitation. Through ab initio molecular dynamics on the core-ionized state, the dissociation and spectrum evolution are followed at femtosecond intervals. The theoretical simulations confirm the experimental analysis and allow for a detailed study of the dissociative reaction path.
Brena
B
B
Department of Physics, AlbaNova, Stockholm University, S 106 91 Stockholm, Sweden.
Nordlund
D
D
Odelius
M
M
Ogasawara
H
H
Nilsson
A
A
Pettersson
L G M
LG
D055592:Biophysical Phenomena; D001703:Biophysics; D003198:Computer Simulation; D006860:Hydrogen Bonding; D007053:Ice; D007700:Kinetics; D008956:Models, Chemical; D008958:Models, Molecular; D014057:Tomography, X-Ray Computed; D014867:Water / Q000737:chemistry*
D007053:Ice; D014867:Water