四丁基溴化铵水合物(C4H9)4NBr·21/3H2O的结构

Janusz Lipkowski , Vladislav Yu Komarov , Tatyana V Rodionova , Yuri A Dyadin , Luydmila S Aladko
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引用次数: 86

摘要

本文介绍了在浓溶液范围内的四丁基溴化铵-水二元体系中发现的溴化四丁基铵水合物结构(C4H9)4NBr·21/3H2O的单晶X射线衍射分析研究结果。(C4H9)4NBr·21/3H2O化合物在三角空间群R3c中结晶,a=16.609(1)Å,c=38.853(2)Å。该结构是四丁基铵阳离子和由氢键水分子和溴化物阴离子组成的团簇的堆积。讨论了溴化四丁基铵-水二元体系中水函数的变化。在包合物形成区域,水起主体的作用,在包合多水合物中形成水-阴离子-主体骨架,而在浓溶液区域,在(C4H9)4NBr·21/3H2O化合物的情况下,水起客体的作用,形成水-负离子-客体颗粒。
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The Structure of Tetrabutylammonium Bromide Hydrate (C4H9)4NBr·21/3H2O

The results of the investigation using single crystal X-Ray diffraction analysis of tetrabutylammonium bromide hydrate structure (C4H9)4NBr·21/3H2O, which was discovered in the tetrabutylammonium bromide–water binary system within the range of concentrated solutions, are presented in this communication. The (C4H9)4NBr·21/3H2O compound is crystallized in the trigonal space group R3c, a=16.609(1) Å, c=38.853(2) Å. The structure is a packing of tetrabutylammonium cations and clusters composed of hydrogen-bonded water molecules and bromide anions. The change of water functions is discussed within one binary system tetrabutylammonium bromide–water. In the clathrate formation region water plays the role of the host, forming the water–anion host framework in clathrate polyhydrates, while in the region of concentrated solutions, in the case of (C4H9)4NBr·21/3H2O compound, water functions as a guest, forming water-anion guest particle.

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