Deep inside dense molecular clouds and protostellar disks, interstellar ices are protected from stellar energetic UV photons. However, X-rays and energetic cosmic rays can penetrate inside these regions triggering chemical reactions, molecular dissociation, and evaporation processes. We present experimental studies of the interaction of heavy, highly charged, and energetic ions (46 MeV 58 Ni 13+ ) with ammonia-containing ices H 2 O:NH 3 (1:0.5) and H 2 O:NH 3 :CO (1:0.6:0.4) in an attempt to simulate the physical chemistry induced by heavy-ion cosmic rays inside dense astrophysical environments. The measurements were performed inside a high vacuum chamber coupled to the IRRSUD (IR radiation SUD) beamline at the heavy-ion accelerator GANIL (Grand Accelerateur National d'Ions Lourds) in Caen, France. The gas samples were deposited onto a polished CsI substrate previously cooled to 13 K. In-situ analysis was performed by a Fourier transform infrared spectrometer (FTIR) at different fluences. The average values of the dissociation cross-section of water, ammonia, and carbon monoxide due to heavy-ion cosmic ray analogs are ∼2 × 10 −13 , 1.4 × 10 −13 , and 1.9 × 10 −13 cm 2 , respectively. In the presence of a typical heavy cosmic ray field, the estimated half life of the studied species is 2-3 × 10 6 years. The ice compaction (micropore collapse) produced by heavy cosmic rays seems to be at least 3 orders of magnitude higher than that produced by (0.8 MeV) protons. The infrared spectra of the irradiated ice samples exhibit lines of several new species including HNCO, N 2 O, OCN − , and NH + 4 . In the case of the irradiated H 2 O:NH 3 :CO ice, the infrared spectrum at room temperature contains five bands that are tentatively assigned to vibration modes of the zwitterionic glycine (NH + 3 CH 2 COO − ).

International audienceWe present a combined experimental and theoretical study of the complex dynamics of excited doubly ionized glycine molecules in the gas phase. Multicoincidence mass spectroscopic techniques together with ab initio molecular dynamics simulations and density functional theory calculations allow us to show that an ultrafast intramolecular hydrogen migration (∼30 fs) appears in competiton with the expected Coulomb repulsion

An experimental study of the interaction of heavy, highly charged, and energetic ions (52 MeV 58 Ni 13+ ) with pure H 2 O, pure CO 2 and mixed H 2 O:CO 2 astrophysical ice analogs is presented. This analysis aims to simulate the chemical and the physicochemical interactions induced by heavy cosmic rays inside dense and cold astrophysical environments, such as molecular clouds or protostellar clouds. The measurements were performed at the heavy ion accelerator GANIL (Grand Accélérateur National d'Ions Lourds in Caen, France). The gas samples were deposited onto a CsI substrate at 13 K. In-situ analysis was performed by a Fourier transform infrared (FTIR) spectrometer at different fluences. Radiolysis yields of the produced species were quantified. The dissociation cross sections of pure H 2 O and CO 2 ices are 1.1 and 1.9 ×10 −13 cm 2 , respectively. For mixed H 2 O:CO 2 (10:1), the dissociation cross sections of both species are about 1 × 10 −13 cm 2 . The measured sputtering yield of pure CO 2 ice is 2.2 × 10 4 molec ion −1 . After a fluence of 2−3 × 10 12 ions cm −2 , the CO 2 /CO ratio becomes roughly constant (∼0.1), independent of the initial CO 2 /H 2 O ratio. A similar behavior is observed for the H 2 O 2 /H 2 O ratio, which stabilizes at 0.01, independent of the initial H 2 O column density or relative abundance.

The Virtual Atomic and Molecular Data Centre (VAMDC) Consortium is a worldwide consortium which federates atomic and molecular databases through an e-science infrastructure and an organisation to support this activity. About 90% of the inter-connected databases handle data that are used for the interpretation of astronomical spectra and for modelling in many fields of astrophysics. Recently the VAMDC Consortium has connected databases from the radiation damage and the plasma communities, as well as promoting the publication of data from Indian institutes. This paper describes how the VAMDC Consortium is organised for the optimal distribution of atomic and molecular data for scientific research. It is noted that the VAMDC Consortium strongly advocates that authors of research papers using data cite the original experimental and theoretical papers as well as the relevant databases.

The present work combines experimental and theoretical studies of the collision between keV ion projectiles and clusters of pyrene, one of the simplest polycyclic aromatic hydrocarbons (PAHs). Intracluster growth processes induced by ion collisions lead to the formation of a wide range of new molecules with masses larger than that of the pyrene molecule. The efficiency of these processes is found to strongly depend on the mass and velocity of the incoming projectile. Classical molecular dynamics simulations of the entire collision process-from the ion impact (nuclear scattering) to the formation of new molecular species-reproduce the essential features of the measured molecular growth process and also yield estimates of the related absolute cross sections. More elaborate density functional tight binding calculations yield the same growth products as the classical simulations. The present results could be relevant to understand the physical chemistry of the PAH-rich upper atmosphere of Saturn's moon Titan.

We have investigated the effectiveness of molecular hydrogen (H2) formation from Polycyclic Aromatic Hydrocarbons (PAHs) which are internally heated by collisions with keV ions. The present and earlier experimental results are analyzed in view of molecular structure calculations and a simple collision model. We estimate that H2 formation becomes important for internal PAH temperatures exceeding about 2200 K, regardless of the PAH size and the excitation agent. This suggests that keV ions may effectively induce such reactions, while they are unlikely due to, e.g., absorption of single photons with energies below the Lyman limit. The present analysis also suggests that H2 emission is correlated with multi-fragmentation processes, which means that the [PAH-2H](+) peak intensities in the mass spectra may not be used for estimating H2-formation rates.

Context. Cosmic ray ion irradiation affects the chemical composition of and triggers physical changes in interstellar ice mantles in space. One of the primary structural changes induced is the loss of porosity, and the mantles evolve toward a more compact amorphous state. Previously, ice compaction was monitored at low to moderate ion energies. The existence of a compaction threshold in stopping power has been suggested. Aims. In this article we experimentally study the effect of heavy ion irradiation at energies closer to true cosmic rays. This minimises extrapolation and allows a regime where electronic interaction always dominates to be explored, providing the ice compaction cross section over a wide range of electronic stopping power. Methods. High-energy ion irradiations provided by the GANIL accelerator, from the MeV up to the GeV range, are combined with in-situ infrared spectroscopy monitoring of ice mantles. We follow the IR spectral evolution of the ice as a function of increasing fluence (induced compaction of the initial microporous amorphous ice into a more compact amorphous phase). We use the number of OH dangling bonds of the water molecule, i.e. pending OH bonds not engaged in a hydrogen bond in the initially porous ice structure as a probe of the phase transition. These high-energy experiments are combined with lower energy experiments using light ions (H, He) from other facilities in Catania, Italy, and Washington, USA. Results. We evaluated the cross section for the disappearance of OH dangling bonds as a function of electronic stopping power. A cross-section law in a large energy range that includes data from different ice deposition setups is established. The relevant phase structuring time scale for the ice network is compared to interstellar chemical time scales using an astrophysical model. Conclusions. The presence of a threshold in compaction at low stopping power suggested in some previous works seems not to be confirmed for the high-energy cosmic rays encountered in interstellar space. Ice mantle porosity or pending bonds monitored by the OH dangling bonds is removed efficiently by cosmic rays. As a consequence, this considerably reduces the specific surface area available for surface chemical reactions.

This roadmap article highlights recent advances, challenges and future prospects in studies of the dynamics of molecules and clusters in the gas phase. It comprises nineteen contributions by scientists with leading expertise in complementary experimental and theoretical techniques to probe the dynamics on timescales spanning twenty order of magnitudes, from attoseconds to minutes and beyond, and for systems ranging in complexity from the smallest (diatomic) molecules to clusters and nanoparticles. Combining some of these techniques opens up new avenues to unravel hitherto unexplored reaction pathways and mechanisms, and to establish their significance in, e.g.  radiotherapy and radiation damage on the nanoscale, astrophysics, astrochemistry and atmospheric science. Graphic abstract