Christian van der Linde

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We present infrared multiple photon dissociation (IRMPD) spectra of (H2O)nO˙- and (H2O)nOH- cluster ensembles for n[combining macron] ≈ 8 and 47 in the range of 2400-4000 cm-1. Both hydrated ions exhibit the same spectral features, in good agreement with theoretical calculations. Decomposition of the calculated spectra shows that bands originating from(More)
The reactions of hydrated monovalent transition metal ions M(+)(H(2)O)(n), M = V, Cr, Mn, Fe, Co, Ni, Cu, Zn, toward molecular oxygen, nitrous oxide, and carbon dioxide were studied by Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometry. Clusters containing monovalent chromium, cobalt, nickel, or zinc were reactive toward O(2), while only(More)
Reactions of M(+) (H2 O)n (M=V, Cr, Mn, Fe, Co, Ni, Cu, Zn; n≤40) with NO were studied by Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometry. Uptake of NO was observed for M=Cr, Fe, Co, Ni, Zn. The number of NO molecules taken up depends on the metal ion. For iron and zinc, NO uptake is followed by elimination of HNO and formation of the(More)
The reactivities of the adamantane-like heteronuclear vanadium-phosphorus oxygen cluster ions [V(x)P(4-x)O(10)](.+) (x=0, 2-4) towards hydrocarbons strongly depend on the V/P ratio of the clusters. Possible mechanisms for the gas-phase reactions of these heteronuclear cations with ethene and ethane have been elucidated by means of DFT-based calculations;(More)
A systematic theoretical investigation of the structure of anionic gold-silicon clusters Au(n)Si(-), n=1-4, has been carried out. The two lowest-lying spin states and all topologically possible connectivities were considered for n=1-3. For n=4, the doublet state and the majority of low-lying geometries were taken into account. Transition states connecting(More)
The hydration of alkali cations yields a variety of structural conformers with varying numbers of water molecules in the first solvation shell. How these ions move from the aqueous phase into biological systems, such as at the entrance of an ion channel, depends on the interplay between competing intermolecular forces, which first must involve ion-water and(More)
Infrared photodissociation (IRPD) spectra of M(+)(H2O)nAr (M = Rb, Cs; n = 3-5) with simultaneous monitoring of [Ar] and [Ar+H2O] fragmentation channels are reported. The comparison between the spectral features in the two channels and corresponding energy analysis provide spectral assignments of the stable structural conformers and insight into the(More)
Ion-molecule reactions of Mg(+)(H(2)O)(n), n ≈ 20-60, with O(2) and CO(2) are studied by Fourier-transform ion cyclotron resonance (FT-ICR) mass spectrometry. O(2) and CO(2) are taken up by the clusters. Both reactions correspond to the chemistry of hydrated electrons (H(2)O)(n)(-). Density functional theory calculations predicted that the solvation(More)