Ultrafast photo-excitation dynamics in isolated, neutral water clusters
- Max Born Institute, Max-Born-St. 2a, 12489 Berlin-Adlershof (Germany)
Using the efficient nonlinear conversion scheme which was recently developed in our group [M. Beutler, M. Ghotbi, F. Noack, and I. V. Hertel, Opt. Lett. 134, 1491 (2010); M. Ghotbi, M. Beutler, and F. Noack, ibid 35, 3492 (2010)] to provide intense sub-50 fs vacuum ultraviolet laser pulses we have performed the first real time study of ultrafast, photo-induced dynamics in the electronically excited A-tilde-state of water clusters (H{sub 2}O){sub n} and (D{sub 2}O){sub n}, n = 2-10. Three relevant time scales, 1.8-2.5, 10-30, and 50-150 fs, can be distinguished which - guided by the available theoretical results - are attributed to H (D)-ejection, OH (OD) dissociation, and a nonadiabatic transition through a conical intersection, respectively. While a direct quantitative comparison is only very preliminary, the present results provide a crucial test for future modeling of excited state dynamics in water clusters, and should help to unravel some of the many still unresolved puzzles about water.
- OSTI ID:
- 21560042
- Journal Information:
- Journal of Chemical Physics, Vol. 134, Issue 9; Other Information: DOI: 10.1063/1.3556820; (c) 2011 American Institute of Physics; ISSN 0021-9606
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
37 INORGANIC
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
COMPARATIVE EVALUATIONS
CONVERSION
DISSOCIATION
EXCITATION
EXCITED STATES
HEAVY WATER
LASERS
MOLECULAR CLUSTERS
PHOTON-MOLECULE COLLISIONS
PULSES
SIMULATION
ULTRAVIOLET RADIATION
COLLISIONS
DEUTERIUM COMPOUNDS
ELECTROMAGNETIC RADIATION
ENERGY LEVELS
ENERGY-LEVEL TRANSITIONS
EVALUATION
HYDROGEN COMPOUNDS
MOLECULE COLLISIONS
OXYGEN COMPOUNDS
PHOTON COLLISIONS
RADIATIONS
WATER