Crystal Engineering: How Molecules Build Solids
Crystal Engineering: How Molecules Build Solids
复制标题
晶体工程：分子如何构建固体
DOI：
10.1088/978-1-6817-4625-8
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发表时间：
2017
期刊：
影响因子：
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通讯作者：
Jeffrey H. Williams
中科院分区：
文献类型：
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作者：
Jeffrey H. Williams
文献中有超过2000万种化学物质，每周都有新材料合成。这些分子中的大多数是稳定的，并且在各种固体中的分子中的原子的三维排列可以通过常规的X射线晶体学来确定。当这样做时，人们发现，这种具有不同大小和形状的大量分子只能由少数固体结构容纳。这种有限数量的结构用于包装所有形状和大小的分子，以最大化分子间的吸引力和最小化分子间的排斥力，使我们能够开发出简单的模型来将分子保持在固体中。在这卷中，我们看在晶体的分子结构的起源;一个主题，这是变得越来越重要，通常被称为，晶体工程。这种研究是预测晶体结构的一种手段，也是通过操纵大分子的结构和相互作用来设计具有特殊性质的晶体的一种手段。也就是说，创造具有所需物理特性的新晶体结构，其中分子在特定结构中聚集在一起;这是制药工业特别感兴趣的主题。
There are more than 20 million chemicals in the literature, with new materials being synthesized each week. Most of these molecules are stable, and the 3-dimensional arrangement of the atoms in the molecules, in the various solids may be determined by routine x-ray crystallography. When this is done, it is found that this vast range of molecules, with varying sizes and shapes can be accommodated by only a handful of solid structures. This limited number of architectures for the packing of molecules of all shapes and sizes, to maximize attractive intermolecular forces and minimizing repulsive intermolecular forces, allows us to develop simple models of what holds the molecules together in the solid. In this volume we look at the origin of the molecular architecture of crystals; a topic that is becoming increasingly important and is often termed, crystal engineering. Such studies are a means of predicting crystal structures, and of designing crystals with particular properties by manipulating the structure and interaction of large molecules. That is, creating new crystal architectures with desired physical characteristics in which the molecules pack together in particular architectures; a subject of particular interest to the pharmaceutical industry.