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Volume 115, 2000
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Pulsed field ionization-ZEKE spectroscopy of cresoles and their aqueous complexes: Internal rotation of methyl group and intermolecular vibrations

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Abstract

Pulsed field ionization-ZEKE photoelectron spectroscopy and (1+1) R2PI spectroscopy have been applied to the cis- and trans-m-cresol ·H2O clusters. The internal rotational structure in the S1 state has been re-assigned, and the potential curve has been determined for the cluster. The PFI-ZEKE spectra of the cis- and trans-isomers show low-frequency bands up to 1000 cm−1 above the adiabatic ionization potential IP0. The low-frequency bands are assigned to the internal rotation of the methyl group, the intermolecular stretching and their combination bands in the m-cresol·H2O cluster cation. Level energies and relative transition intensities are reproduced well by a one-dimensional rotor model with a three-fold axis potential. Potential curves for the internal rotation have been determined for both cis- and trans-isomers of m-cresol ·H2O cations. The effect of the cluster formation upon the internal methyl rotation, and the interaction between the methyl rotation and the intermolecular vibration are discussed.

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Publication details

The article was received on 09 Feb 2000 and first published on 17 Apr 2000


Article type: Paper
DOI: 10.1039/B001093F
Citation: Faraday Discuss., 2000,115, 229-243
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    Pulsed field ionization-ZEKE spectroscopy of cresoles and their aqueous complexes: Internal rotation of methyl group and intermolecular vibrations

    K. Suzuki, S. Ishiuchi and M. Fujii, Faraday Discuss., 2000, 115, 229
    DOI: 10.1039/B001093F

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