HYDROGEN BONDING CHARACTERISTICS OF CRYSTALLINE WATER IN INORGANIC CRYSTALS
发表时间：2019-03-11
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- 论文类型：
- 期刊论文
- 第一作者：
- Zhang, Fangfang
- 通讯作者：
- Xue, DF (reprint author), Dalian Univ Technol, Sch Chem Engn, Dept Mat Sci & Chem Engn, State Key Lab Fine Chem, Dalian 116012, Peoples R China.
- 合写作者：
- Li, Keyan,Xue, Dongfeng
- 发表时间：
- 2009-12-30
- 发表刊物：
- 3rd International Symposium on Fuctional Materials
- 收录刊物：
- SCIE、CPCI-S、Scopus
- 文献类型：
- J
- 卷号：
- 23
- 期号：
- 31-32
- 页面范围：
- 3959-3966
- ISSN号：
- 0217-9849
- 关键字：
- Hydrogen bond; original bond length; crystalline water; hydrogen bonding capability
- 摘要：
- From the chemical bond viewpoint, the microscopic characterstatics of hydrogen bonds in M(i)-OH(2)center dot center dot center dot O (M is the metal cation coordinated to water molecule and i is the number of M) systems were comprehensively studied. It is shown that the original O-H and H center dot center dot center dot O bond lengths of each hydrogen bonding system are evidently influenced by the crystalline environment and strongly dependent on the corresponding average bond lengths of each system, (d) over bar (O-H) and (d) over bar (H center dot center dot center dot O). Furthermore, the hydrogen bonding capability of water molecules coordinated to various metal cations was properly estimated and found to be related to the ionic electronegativities of these metal cations. The current work provides a useful route to calculating hydrogen bond valences within reasonable accuracy and sheds light on the rational utilization of hydrogen bonds in crystal design.
- 是否译文：
- 否
