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• W2025751572 startingPage "4589" @default.
• W2025751572 abstract "The solvation of the cesium ion by methanol has been investigated by gas-phase vibrational spectroscopy and Monte Carlo simulations of small ion clusters: Cs(CH3OH)+N, N=4–25. The solvated ions, generated by thermionic emission and a molecular-beam source, have considerable amounts of internal energy. After excessive energy is dissipated by evaporation, quasistable cluster ions are mass-selected for vibrational predissociation spectroscopy using a line-tunable cw-CO2 laser. Analysis of the vibrational spectra indicates that the first solvation shell about the cesium ion consists of ten methanol molecules. Larger Cs(CH3OH)+N (N&gt;18) appear to have small clusters of methanol bound to the surface of a solvated ion. Monte Carlo simulations using pairwise interaction potentials at 200, 250, and 300 K have been performed on Cs(CH3OH)+N, N=6–16 and 25. The results from the simulations are consistent with the observed solvent shell size and suggest a significant role for hydrogen bonding in the larger solvated ions (N≥10). Once the first solvation shell is filled, the size of the solvent shell appears to be independent of the number of additional solvent molecules. Gas-phase solvated ions appear to be extremely useful models for dilute electrolyte solutions." @default.
• W2025751572 created "2016-06-24" @default.
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• W2025751572 date "1990-10-01" @default.
• W2025751572 modified "2023-10-16" @default.
• W2025751572 title "Gas-phase methanol solvation of Cs+ : Vibrational spectroscopy and Monte Carlo simulation" @default.
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• W2025751572 doi "https://doi.org/10.1063/1.458699" @default.
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