物理化学学报 >> 2004, Vol. 20 >> Issue (01): 98-102.doi: 10.3866/PKU.WHXB20040121

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离子对水的17O-NMR化学位移和水结构的影响

李睿华;蒋展鹏;杨宏伟;管运涛   

  1. 清华大学环境科学与工程系,北京　100084
  • 收稿日期:2003-06-06 修回日期:2003-09-23 发布日期:2004-01-15
  • 通讯作者: 蒋展鹏 E-mail:jzp@mail.tsinghua.edu.cn

Effects of Ions on Chemical Shift of 17O-NMR(δ(H217O)) and Water Structure

Li Rui-Hua;Jiang Zhan-Peng;Yang Hong-Wei;Guan Yun-Tao   

  1. Department of Environmental Science and Engineering, Tsinghua University, Beijing　100084
  • Received:2003-06-06 Revised:2003-09-23 Published:2004-01-15
  • Contact: Jiang Zhan-Peng E-mail:jzp@mail.tsinghua.edu.cn

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摘要： 在小于1 mol•L-1的浓度范围内,测试了碱金属、碱土金属氯化物、卤化钠及其它常见含氧酸盐溶液的17O-NMR化学位移（δ(H217O)）.发现离子对δ(H217O)的影响与离子的半径、电荷、离子外层电子结构及离子结构有关.其它离子参数相同时,离子半径越大,离子的摩尔δ(H217O)越大;在电子结构相同的情况下,离子电荷越大,离子的摩尔δ(H217O)越大;多原子离子的摩尔δ(H217O)更多地是与其离子结构相关.离子的摩尔δ(H217O)的大小反映了该离子对水的结构的影响情况,离子的摩尔δ(H217O)越大,对水的结构促进作用越强.

关键词: 离子, 化学位移, 17O-NMR, 水的结构

Abstract: In the concentration of 0~1 mol•L-1 ,the chemical shift of 17O-NMR （δ(H217O)）in aqueous solutions of alkali chloride, alkaline earth chloride, sodium halide or some common oxysalt were measured. It is found thatδ(H217O) depends on ion radius, ion charge, outside electron structure of ion and structure of ion. As the other parameters of ions keep unchanged, the larger the ion radius, the more the molarδ(H217O) of the ion is. With the same outer electron structure of ion, the more the ion charge, the more the molarδ(H217O) of the ion is. The molarδ(H217O) of multiple atom ion correlate with the structure of ion much more. It is deduced that the molar δ(H217O) of ion correlate with the effect of ion on water structure. The more the molarδ(H217O) of the ion, the intenser the effect of the ion on promoting water structure.

Key words: Ion, Chemical shift, 17O－NMR, Water structure