Steric control for inclusion compounds of sequential and chiral polymers

我们的目标是控制手性和顺序聚合物包合物的空间结构，使我们能够建立通过碳链化合物来表达分子信息的概念。主要研究结果如下：1.以市售胆汁酸及其衍生物为原料，合成了多种甾体化合物。我们证实，大多数类固醇与多种有机物质形成包合物。包合行为因情况不同而不同。我们评估了原始宿主分子与包合行为之间的关系。我们确定了包含的来宾组件的范围。每个案例的范围都不同。为从分子的大小、形状、手性和极性等角度探讨分子识别的可能机理积累了必要的基础实验数据。我们分析了所得到的包合物的粉末X射线衍射图。通过比较研究，得出了分子组装的分类。对许多单晶进行了X射线结晶学分析，得到了上百种包合物的晶体结构。我们证实了氢键基团之间的多重结合可能在决定主客体关系方面发挥了重要作用。四个或三个离散的氢键基团以不同的方式结合在一起。这种多样性导致了依赖于宿主结构的可变夹杂现象。我们在个人计算机上构建了适合于研究主客体相互作用各方面的分子组合物。断层扫描研究使我们能够在分子水平上了解空间，以适应客体组件。

We aimed to control steric structures of inclusion compounds of chiral and sequential polymers, enabling us to establish the concept of molecular information and expression by carbon-chain compounds. The results are summarized as follows ;1. We synthesized many steroidal compounds, starting from commercially availabe bile acids and their derivatives. We confirmed that most of the steroids form the inclusion compounds with a variety of organic substances. The inclusion behaviors varied from one case to another. We evaluated a relation between the original host molecules and the inclusion behaviors.2. We determined a scope of the guest components included. The scope varied from one case to another. We accumulated basic experimental data necessary for considering possible mechanism of the molecular recognition from a viewpoint in size, shape, chirality and polarity.3. We analyzed powder X-ray diffraction patterns of the resulting inclusion compounds. The comparative study led to a classification of the molecular assemblies. Many single crystals were analyzed by X-ray crystallography, resulting in acquiring over hundred crystal structures of the inclusion compounds.4. We confirmed that multiple combinations among the hydrogen-bonding groups may play an important role in determining the host-guest relationship. Four or three discrete hydrogen bonding groups associate together in various ways. This diversity is responsible for variable inclusion phenomena which is dependent on the host structures.5. We condtructed molecular assemblies suitable for studying on various aspects of the host-guest interactions by using personal computers. Tomographic study enabled us to understand spaces at a molecular level to accommodate the guest components.