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Production of intense beams of mass-selected water cluster ions and theoretical study of atom-water interactions

Abstract : The influences of water molecules surrounding biological molecules during irradiation with heavy particles (atoms,ions) are currently a major subject in radiation science on a molecular level. In order to elucidate the underlying complex reaction mechanisms we have initiated a joint experimental and theoretical investigation with the aim to make direct comparisons between experimental and theoretical results. As a first step, studies of collisions of a water molecule with a neutral projectile (C atom) at high velocities (> 0.1 a.u.), and with a charged projectile (proton) at low velocities (< 0.1 a.u.) have been studied within the microscopic framework. In particular, time-dependent density functional theory (TDDFT) was applied to the valence electrons and coupled non-adiabatically to Molecular dynamics (MD) for ionic cores. Complementary experimental developments have been carried out to study projectile interactions with accelerated (< 10 keV) and mass-selected cluster ions. The first size distributions of protonated water cluster ions H+(H_2O)_n (n=2-39) produced using this new apparatus are presented.
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Preprints, Working Papers, ...
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http://hal.in2p3.fr/in2p3-00372136
Contributor : Dominique Girod <>
Submitted on : Tuesday, March 31, 2009 - 1:22:37 PM
Last modification on : Tuesday, November 17, 2020 - 1:08:01 PM

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  • HAL Id : in2p3-00372136, version 1
  • ARXIV : 0903.5241

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Zhiping Wang, Phuong Mai Dinh, P. -G. Reinhard, Eric Suraud, G. Bruny, et al.. Production of intense beams of mass-selected water cluster ions and theoretical study of atom-water interactions. 2009. ⟨in2p3-00372136⟩

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