Inclusion Chemistry of Flexible Hosts

该项目属于无机、生物无机和有机金属化学项目，属于主客化学领域。该项目旨在了解柔性宿主与各种客体分子的相互作用。对于主持人来说，重点将放在液体包合物和杯芳烃上。对客人组织主人的能力的基本理解将被调查。将在一系列系统中寻找空腔和溶剂极性的比较。对单晶x射线衍射、核磁共振波谱和分子模型的高度依赖将是表征结构和相互作用的必要手段。计划开发柔性宿主作为粘土矿物和生物无机分子的模型。对于后者，杯芳烃将使用标准的合成有机程序进行功能化。合成了氨基芳烃，并对其与过渡金属离子的络合作用进行了研究。从柔性宿主的研究中获得的信息将应用于分离科学的问题。该研究有望为了解溶液中物种间的相互作用以及酶对底物的识别所涉及的相互作用类型提供重要的基础信息。这项研究还可能导致分离化学混合物的新方法。

This project in the Inorganic, Bioinorganic and Organometallic Chemistry Program is in the area of host-guest chemistry. The project is directed toward an understanding of the interaction of flexible hosts with a variety of guest molecules. For the hosts, focus will be on liquid clathrates and calixarenes. Fundamental understanding of the ability of guests to organize hosts will be investigated. A comparison of the polarity of the cavity and that of the solvent will be sought for a range of systems. Heavy reliance on single crystal X-ray diffraction, nuclear magnetic resonance spectroscopy and molecular modelling will be necessary to characterize the structures and interactions. The development of flexible hosts as models for clay minerals and for bioinorganic molecules is planned. For the latter, calixarenes will be functionalized using standard synthetic organic procedures. Aminocalixarenes will be synthesized and their complexation of transition metal ions will be investigated. Information derived from studies of flexible hosts will be applied to problems of separation science. This study is expected to provide important fundamental information about interactions between species in solutions and about the kinds of interactions which are involved in the recognition of substrates by enzymes. The study may also lead to new methodology for the separation of mixtures of chemicals.