Publication

Ionization and fragmentation of water clusters by fast highly charged ions

Ivano Tavernelli, Pablo Lopez Tarifa
2009
Journal Articles

Résumé

We study the dissociative ionization of water clusters by impact of 12 MeV/u Ni25+ ions. Cold target recoil ion momentum spectroscopy (COLTRIMS) is used to obtain information about stability, energetics and charge mobility of the ionized water clusters. An unusual stability of the H9O4+ ion is observed, which could be the signature of the so-called Eigen structure in gas-phase water clusters. From the analysis of coincidences between charged fragments, we conclude that charge mobility is very high and is responsible for the formation of protonated water clusters, (H2O)(n)H+, that dominate the mass spectrum. These results are supported by Car-Parrinello molecular dynamics and time-dependent density functional theory simulations, which also reveal the mechanisms of such mobility.

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https://infoscience.epfl.ch/entities/publication/f63679f2-522d-4a29-8c32-4c6b5d38f101

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Ivano Tavernelli, Pablo Lopez Tarifa
2009
Journal Articles

Résumé

Source officielle

https://infoscience.epfl.ch/entities/publication/f63679f2-522d-4a29-8c32-4c6b5d38f101

À propos de ce résultat

Concepts associés (21)

Ion source

An ion source is a device that creates atomic and molecular ions. Ion sources are used to form ions for mass spectrometers, optical emission spectrometers, particle accelerators, ion implanters and ion engines. Electron ionization Electron ionization is widely used in mass spectrometry, particularly for organic molecules. The gas phase reaction producing electron ionization is M{} + e^- -> M^{+\bullet}{} + 2e^- where M is the atom or molecule being ionized, e^- is the electron, and M^{+\bullet} is the resulting ion.

Spectrométrie de masse

thumb|right|Spectromètre de masse La spectrométrie de masse est une technique physique d'analyse permettant de détecter et d'identifier des molécules d’intérêt par mesure de leur masse, et de caractériser leur structure chimique. Son principe réside dans la séparation en phase gazeuse de molécules chargées (ions) en fonction de leur rapport masse/charge (m/z). Elle est utilisée dans pratiquement tous les domaines scientifiques : physique, astrophysique, chimie en phase gazeuse, chimie organique, dosages, biologie, médecine, archéologie.

Mass spectral interpretation

Mass spectral interpretation is the method employed to identify the chemical formula, characteristic fragment patterns and possible fragment ions from the mass spectra. Mass spectra is a plot of relative abundance against mass-to-charge ratio. It is commonly used for the identification of organic compounds from electron ionization mass spectrometry. Organic chemists obtain mass spectra of chemical compounds as part of structure elucidation and the analysis is part of many organic chemistry curricula.

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