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    Please use this identifier to cite or link to this item: http://tkuir.lib.tku.edu.tw:8080/dspace/handle/987654321/27564

    Title: Pressure-dependent studies on hydration of the C–H group in formic acid
    Authors: Chang, Hai-chou;Jiang, Jyh-chiang;Chao, Ming-chi;Lin, Ming-shan;Lin, Sheng-hsien;Chen, Hsin-yen;薛宏中;Hsueh, Hung-chung
    Contributors: 淡江大學物理學系
    Date: 2001-11-01
    Issue Date: 2009-12-31 10:24:54 (UTC+8)
    Publisher: American Institute of Physics (AIP)
    Abstract: The infrared spectroscopic profiles of HCOOD/D2O mixtures were measured as a function of
    pressure and concentration. The C–H bond of HCOOD shortens as the pressure is elevated, while
    the increase in C–H bond length upon diluting HCOOD with D2O was observed. Based on the
    experimental results, the shift in frequency of C–H stretching band is concluded to relate to the
    mechanism of the hydration of the C–H group and the water structure in the vicinity of the C–H
    group. The pressure-dependent results can be attributed to the strengthening of C–H---O
    electrostatic/dispersion interaction upon increasing pressure. The observations are in accord with
    ab initio calculation forecasting a blueshift of the C–H stretching mode via C–H---O interaction in
    HCOOD-water/~HCOOD!2-~D2O! complexes relative to the noninteracting monomer/dimer.
    Hydrogen-bonding nonadditivity and the size of water clusters are suggested to be responsible to
    cause the redshift in C–H stretching mode upon dilution HCOOD with D2O.
    Relation: Journal of chemical physics 115(17), pp.8032-8037
    DOI: 10.1063/1.1409363
    Appears in Collections:[Graduate Institute & Department of Physics] Journal Article

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