Microscopic studies of atom-water collisions

Wang, Z. P.; Dinh, P. M.; Reinhard, P. -G.; Suraud, E.; Bruny, G.; Montano, C.; Feil, S.; Eden, S.; Abdoul-Carime, H.; Farizon, B.; Farizon, M.; Ouaskit, S. and Märk, T. D. (2009). Microscopic studies of atom-water collisions. International Journal of Mass Spectrometry, 285(3) pp. 143–148.

DOI: https://doi.org/10.1016/j.ijms.2009.05.008


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+(H2O)n(n = 2–39) produced using this new apparatus are presented.

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