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The xenon-difluoronitrenium ion F(2)N-Xe(+) , a novel xenon-nitrogen species, was obtained in the gas phase by the nucleophilic displacement of HF from protonated NF(3) by Xe. According to Møller-Plesset (MP2) and CCSD(T) theoretical calculations, the enthalpy and Gibbs energy changes (ΔH and ΔG) of this process are predicted to be -3 kcal mol(-1) . The conceivable alternative formation of the inserted isomers FN-XeF(+) is instead endothermic by approximately 40-60 kcal mol(-1) and is not attainable under the employed ion-trap mass spectrometric conditions. F(2)N-Xe(+) is theoretically characterized as a weak electrostatic complex between NF(2)(+) and Xe, with a Xe-N bond length of 2.4-2.5 Å, and a dissociation enthalpy and free energy into its constituting fragments of 15 and 8 kcal mol(-1), respectively. F(2)N-Xe(+) is more fragile than the xenon-nitrenium ions (FO(2)S)(2)NXe(+), F(5)SN(H)Xe(+), and F(5)TeN(H)Xe(+) observed in the condensed phase, but it is still stable enough to be observed in the gas phase. Other otherwise elusive xenon-nitrogen species could be obtained under these experimental conditions.

The energy and time-of-flight distributions of water ionic fragments produced by impact of fast atoms and bare and dressed ions; namely, H + , Li 0-3+ , C 1+ , and C 2+ are reported in this work. Fragment species as a function of emission energy and time-of-flight were recorded by using an electrostatic spectrometer and a time-of-flight mass spectrometer, respectively. An improved Coulomb explosion model coupled to a classical trajectory Monte Carlo (CTMC) simulation gave the energy centroids of the fragments for the dissociation channels resulting from the removal of two to five electrons from the water molecule. For the energy distribution ranging up to 50 eV, both the experiment and model reveal an isotropic production of multiple charged oxygen ions, as well as hydrogen ions. From the ion energy distribution, relative yields of the dissociation resulting from multiple ionization were obtained as a function of the charge state, as well as for several projectile energies. Multiple-ionization yields with charge state up to 4+, were extracted from the measurements of the time-of-flight spectra, focused on the production of single and multiple charged oxygen ions. The measurements were compared to ion-water collision experiments investigated at the keV energy range available in the literature, revealing differences and similarities in the fragment-ion energy distribution.

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