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Dense Semi-Clathrates at High Pressure: A Study of the Water-tert-Butylamine System

机译:高压致密半脾脏:水 - 叔丁胺系统的研究

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摘要

In situ high-pressure crystallization and diffraction techniques have been applied to obtain two very structurally distinct semi-clathrates of the tert-butylamine-water system with hydration numbers 5.65 and 5.8, respectively, thereby considerably reducing a notable hydration gap between the monohydrate and the 71/4-hydrate that results when crystallization space is explored by temperature alone. Both structures can be considered as an intriguing solidstate example of hydrophobic hydration, in which the water network creates wide tert-butylamine-filled channels stabilized by cross-linking hydrogen bonds. The existence of interconnected channels might also add low hydration structures to a list of potential targets for hydrogen storage. A detailed analysis of the topology of host water and host- guest interactions is reported and extended to those of other hydrates of the compound. This analysis offers new insight into properties of the tert-butylamine-water system and provides some clues as to the occurrence of the sizable number of hydrates of this compound.
机译:原位已经施加高压结晶和衍射技术,以分别获得具有水合编号5.65和5.8的叔丁基胺 - 水系统的两个非常结构不同的半克拉碱,从而大大减少了一水合物和中间物质之间的显着水化间隙71/4 - 水合物可通过单独使用温度探索结晶空间。这两个结构都可以被认为是疏水性水化的诱人的固体例子,其中水网络通过交联氢键稳定稳定的宽叔丁胺填充的通道。互连通道的存在也可以将低水合结构添加到储氢的潜在靶标的列表中。报告了对宿主水和宿主相互作用的拓扑的详细分析,并扩展到该化合物的其他水合物的拓扑。该分析提供了新的洞察叔丁胺水系统的性质,并为该化合物的倍数水合物提供了一些线索。

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