Hybrid Supramolecules Assembled Using H-Bonds and metals

描述：（申请人提供）：自然界使用氢键 和金属-配体相互作用无处不在， 更高层次的结构。这种方法在合成化学中很少使用 并且从未用于产生离散的主体-客体复合物。具体 这个项目的目标是使用一种基于数据的方法，类似于 用于制造金属配体超分子簇，组装纳米级 同时利用氢键和金属配体的含空穴簇 相互作用，使大会团结在一起。大自然欣赏 利用一个生物分子内的金属配位和氢键， 一项提案试图通过偶联在制备合成规模上模拟该基序， 一个众所周知的金属螯合模块的自互补氢键 一个分子内的模块。螯合剂同时与 金属离子和自互补氢键的形成将导致 高对称性、含腔二聚体组装体的自组装 由12个金属-配体键和12个氢键组成。这些混合纳米级 组装将被研究，以了解：（1）如何在金属配位 分子内杂化复合物会影响客体的亲和力 包合，（2）如何“折叠”或整体拓扑结构的超分子 络合物受金属配位和/或氢键的影响，和（3） 金属配位之间是否存在协同或协同效应 和氢键结合。此外，本发明还提供了一种方法， 杂化超分子复合物的成功合成将提供证据 的原则，建议的设计策略，并允许合成新的 簇，以利用这些纳米级的 配合物

DESCRIPTION: (provided by applicant): The natural world uses hydrogen bonding and metal-ligand interactions ubiquitously to hold proteins together into higher order structures. This approach is rarely used in synthetic chemistry and has never been used to generate discrete host-guest complexes. The specific goals for this project are to use a symmetry-based approach, similar to that employed to make metal-ligand supramolecular clusters, to assemble nanoscale cavity-containing clusters using both hydrogen bonding and metal-ligand interactions to hold the assembly together. Nature appreciates the power of using metal coordination and hydrogen bonding within one bio-molecule, this proposal seeks to mimic this motif on a preparative synthetic scale by coupling a well-known metal chelating module to a self-complementary hydrogen bonding module within a single molecule. Simultaneous coordination of the chelator to a metal ion and formation of the self-complementary hydrogen bonds will result in the self-assembly of a high-symmetry, cavity-containing, dimeric assembly composed of 12 metal-ligand bonds and 12 hydrogen bonds. These hybrid nanoscale assemblies will be studied to understand: (1) how metal coordination in a hybrid molecule-within-molecule complex will affect the affinity of guest inclusion, (2) how the "folding" or overall topology of the supramolecular complex is influenced by metal coordination and/or hydrogen bonding, and (3) whether there is a cooperative or synergistic effect between metal-coordination and hydrogen bonding when assembling such synthetic analogues. In addition, successful synthesis of a hybrid supramolecular complex would provide a proof of principle to the proposed design strategy and allow synthesis of new clusters to exploit the host-guest chemistry generated by these nanoscale complexes.