Water clusters in organic molecular crystals
Water clusters in organic molecular crystals
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DOI：
10.1039/b204934a
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发表时间：
2002-07-22
期刊：
影响因子：
3.1
通讯作者：
Motherwell, S
中科院分区：
文献类型：
--
作者：
Infantes, L;Motherwell, S
在剑桥结构数据库中，水分子团簇的结构可分为离散环链、无限链状和带状结构以及层状结构。主要模式被发现为离散的集群4元水环，并在链与4沃茨的重复单元。在条带中，主要模式由共享一个边缘的5元环和共享一个边缘的交替的4、6元环组成。如果有机分子中包含供体/受体基团，则离散的水图案转变为主导的带图案。
The patterns of water clusters within the Cambridge Structural Database have been classified as discrete rings chains, infinite chains and tapes, and layer structures. Predominant patterns are found for discrete clusters 4-membered water rings, and in chains with a repeat unit of 4 waters. In tapes dominant patterns consist of 5-membered rings sharing one edge, and alternate 4,6-membered rings sharing one edge. If donor/acceptor groups are included from the organic molecules then the discrete water patterns transform into the dominant tape motifs.