Molecular association in binary mixtures of tert-butyl alcohol-water and tetrahydrofuran-heavy water studied by mass spectrometry of clusters from liquid droplets

被引:38
作者
Fukasawa, T
Tominaga, Y [1 ]
Wakisaka, A
机构
[1] Ochanomizu Univ, Grad Sch Humanities & Sci, Dept Chem & Phys, Bunkyo Ku, Tokyo 1128610, Japan
[2] AIST, Natl Inst Adv Ind Sci & Technol, Tsukuba, Ibaraki 3058569, Japan
关键词
D O I
10.1021/jp031011s
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
The cluster structures observed by means of mass spectrometry for binary mixtures-tert-butyl alcohol (TBA)H2O and tetrahydrofuran (THF)-D2O-with varying mixing ratios exhibit striking contrast, even though both TBA and THF are miscible with water at any mixing ratio. In the TBA-H2O mixtures at TBA mole fractions of (X-TBA) less than or equal to 0.01-0.025, some of the H2O molecules in the H2O clusters are replaced by TBA molecules. For 0.01-0.025 less than or equal to X-TBA less than or equal to 0.2-0.3, the self-aggregation of TBA forms dominant cluster structures, and the hydrogen-bonded water clusters are disintegrated with increasing XTBA. This TBA self-aggregation is reduced with further increasing TBA at X-TBA greater than or equal to 0.3. However, in the THF-D2O mixtures, THF molecules have a weak additional interaction with D2O clusters, and the self-aggregation of THF is not promoted in the THF-D2O mixtures. The D2O clusters still exist, even at a THF mole fraction of X-THF = 0.3. On the basis of the observed cluster structure, the mechanism for the mixing between water and the organic solvent and the controlling factors in the self-aggregation are proposed.
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页码:59 / 63
页数:5
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