Pressure-dependent studies on hydration of the C–H group in formic acid
學年 90
學期 1
出版(發表)日期 2001-11-01
作品名稱 Pressure-dependent studies on hydration of the C–H group in formic acid
著者 Chang, Hai-chou; Jiang, Jyh-chiang; Chao, Ming-chi; Lin, Ming-shan; Lin, Sheng-hsien; Chen, Hsin-yen; 薛宏中; Hsueh, Hung-chung
單位 淡江大學物理學系
出版者 American Institute of Physics (AIP)
著錄名稱、卷期、頁數 Journal of chemical physics 115(17), pp.8032-8037
摘要 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.
語言 en
ISSN 0021-9606
期刊性質 國內
出版型式 紙本

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