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  Limitations of high-intensity soft X-ray laser fields for the characterisation of water chemistry: Coulomb explosion of the octamer water cluster.

Debnarova, A., Techert, S., & Schmatz, S. (2012). Limitations of high-intensity soft X-ray laser fields for the characterisation of water chemistry: Coulomb explosion of the octamer water cluster. Physical Chemistry Chemical Physics, 14(27), 9606-9614. doi:10.1039/c2cp40598a.

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Item Permalink: http://hdl.handle.net/11858/00-001M-0000-000F-A16D-8 Version Permalink: http://hdl.handle.net/11858/00-001M-0000-0028-4244-6
Genre: Journal Article

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Debnarova, A.1, Author              
Techert, S.1, Author              
Schmatz, S., Author
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1Research Group of Structural Dynamics of (Bio)Chemical Systems, MPI for biophysical chemistry, Max Planck Society, ou_578564              

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 Abstract: In this work, the Coulomb explosion of the octamer water cluster has been studied employing a theoretical approach. Instead of the usual methodology that makes use of classical molecular dynamics, time-dependent density functional theory has been applied to tackle the problem. This method explicitly accounts for the laser field and thus does not impose any constraint on the interaction between the laser pulse and the cluster. We focus on the effects of energetic changes in the system under high-intensity soft X-ray laser pulses. The motions of the ions and their velocities during this process show significant differences for the three applied laser intensities (1014, 1015 and 1016 W cm−2). Very strong soft X-ray free electron laser (FEL) pulses must be short to allow for investigations of ultra-fast wet chemistry, according to the principle of collect and destroy.

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Language(s): eng - English
 Dates: 2012-06-082012
 Publication Status: Published in print
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 Rev. Method: Peer
 Identifiers: DOI: 10.1039/c2cp40598a
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Title: Physical Chemistry Chemical Physics
Source Genre: Journal
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Pages: - Volume / Issue: 14 (27) Sequence Number: - Start / End Page: 9606 - 9614 Identifier: -