Ultrafast photo-excitation dynamics in isolated, neutral water clusters
- 2 March 2011
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 134 (9), 094305
- https://doi.org/10.1063/1.3556820
Abstract
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 \documentclass[12pt]{minimal}\begin{document}$\tilde{A}$\end{document}Ã-state of water clusters (H2O)n and (D2O)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.Keywords
This publication has 38 references indexed in Scilit:
- Photochemistry of the water dimer: Time-dependent quantum wave-packet description of the dynamics at the S1-S conical intersectionThe Journal of Chemical Physics, 2009
- Degree of Initial Hole Localization/Delocalization in Ionized Water ClustersThe Journal of Physical Chemistry A, 2009
- Excited state properties of liquid waterJournal of Physics: Condensed Matter, 2008
- Safety Profile of Multilevel Chemical Denervation Procedures Using Phenol or Botulinum Toxin or Both in a Pediatric PopulationAmerican Journal of Physical Medicine & Rehabilitation, 2008
- The photodissociation of the water dimer in the à band: A twelve-dimensional quasiclassical studyThe Journal of Chemical Physics, 2008
- Water — an enduring mysteryNature, 2008
- Computational studies of aqueous-phase photochemistry and the hydrated electron in finite-size clustersPhysical Chemistry Chemical Physics, 2007
- Photodissociation of the water dimer: Three-dimensional quantum dynamics studies on diabatic potential-energy surfacesThe Journal of Chemical Physics, 2005
- Photochemistry of water: The (H2O)5 clusterThe Journal of Chemical Physics, 2005
- Computing molecular complexes in earth's and other atmospheresPhysics and Chemistry of the Earth, Part C: Solar, Terrestrial & Planetary Science, 2001