Solvation shells of the proton surrounded by acetonitrile, ethanol, and water molecules

Journal Article · Thu Dec 28 00:00:00 EST 1989 · Journal of Physical Chemistry; (USA)

DOI:https://doi.org/10.1021/j100363a006· OSTI ID:6717184

Mestdagh, J M; Binet, A; Sublemontier, O ^[1]

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1. CEN, Gif-sur-Yvette (France)

The filling of solvent shells around the proton was investigated by the method of cluster ionization and fragmentation. Hydrogen-bonded clusters of H{sub 2}O, CH{sub 3}CN, C{sub 2}H{sub 5}OH, and mixtures of these molecules were studied. Well-defined first shells corresponding to (CH{sub 3}CN){sub 2}H{sup +}, (CH{sub 3}CN){sub 3}(H{sub 2}O)H{sup +}, and (H{sub 2}O){sub 4}H{sup +} were observed. Most significantly, only one shell was found in clusters of pure CH{sub 3}CN, whereas a structure corresponding to (CH{sub 3}CN){sub n}(H{sub 2}O){sub n-2}H{sup +} was observed up to n = 7 in multicomponent clusters of water and acetonitrile. These results illustrate how results derived from small clusters in high-pressure mass spectrometric experiments may be extended to large clusters.

• OSTI ID: 6717184
• Journal Information: Journal of Physical Chemistry; (USA), Vol. 93:26; ISSN 0022-3654
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
PROTONS
SHELL MODELS
SOLVENTS
ACETONITRILE
CALCULATION METHODS
CLUSTER MODEL
DATA ANALYSIS
ETHANOL
EXPERIMENTAL DATA
MEASURING INSTRUMENTS
MEASURING METHODS
WATER
ALCOHOLS
BARYONS
DATA
ELEMENTARY PARTICLES
FERMIONS
HADRONS
HYDROGEN COMPOUNDS
HYDROXY COMPOUNDS
INFORMATION
MATHEMATICAL MODELS
NITRILES
NUCLEAR MODELS
NUCLEONS
NUMERICAL DATA
ORGANIC COMPOUNDS
ORGANIC NITROGEN COMPOUNDS
OXYGEN COMPOUNDS
400201* - Chemical & Physicochemical Properties