Laboratory of Quantum Chemistry

How many methanol molecules effectively solvate an excess proton in the gas phase?
Infrared spectroscopy of H+(methanol)n–benzene clusters

 An excess proton in a hydrogen-bonded system enhances the strength of hydrogen bonds of the surrounding molecules. The extent of this influence can be a measure of the number of molecules effectively solvating the excess proton. Such extent in methanol is studied by the observation of the π-hydrogen-bonded OH stretch bands of the terminal sites of protonated methanol clusters, H+(methanol)n, in the gas phase. We performed infrared spectroscopy of H+(methanol)n–benzene clusters in the gas phase. The observed size dependence of the π-hydrogen bonded OH frequency demonstrated that ∼7 molecules effectively solvate the excess proton.

How many methanol molecules effectively solvate an excess proton in the gas phase? Infrared spectroscopy of H+(methanol)n–benzene clusters

  1. Takeru Kato, Asuka Fujii, Phys. Chem. Chem. Phys. 2022, 24, 163-171.
    DOI: 10.1039/d1cp04689f
    https://pubs.rsc.org/en/content/articlelanding/2022/cp/d1cp04689f
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