AAA-DDD三重氢键体系的合成、分子识别及其超分子聚合物的构筑

Hydrogen bonds are one of key factors through which components of a biological system recognize each other. Multiple hydrogen bonds have been extensively used in the constructions of complicated supramolecular structures and functional materials. Most of the current examples about multiple hydrogen-bonded systems have complicated structures and high synthetic cost. AAA-DDD hydrogen-bond array is the minimal one to provide extremely strong interaction. In this proposal,we will synthesize a series of new AAA and DDD molecules, which may have some advantages, such as simple structures, strong binding interactions (the binding energy is lower than -34.2 kJ/mol), lower synthetic cost and easy accessibility to functionalize them. The self-sorting of these AAA and DDD molecules will be investigated.In addition, supramolecular polymers based on AAA-DDD hydrogen bonds will be developed and characterized.Our project will contribute to the application of multiple hydrogen bonds.

氢键是生命体系中各组分之间相互识别的重要因素之一。多重氢键已被广泛地应用于超分子复杂结构和功能材料的研究。目前大多数强作用的多重氢键体系存在结构较复杂、合成成本较高等缺陷。AAA-DDD三重氢键是能提供强作用的含有最少氢键个数的序列。本项目在前期工作的基础上拟设计和合成一系列新的AAA和DDDD化合物，研究该体系的分子识别和自分类现象，构筑基于AAA-DDD三重氢键的超分子聚合物。我们期望新的互补的AAA-DDD三重氢键体系具有结构简单、氢键作用强（复合物的结合自由能小于-34.2 kJ/mol）、合成成本较低以及较易功能化应用等优点，从而实现超分子聚合物的构筑。该研究为多重氢键的应用提供工作基础，并具有一定的指导意义。

氢键是生命体系中各组分之间相互识别的重要因素之一。多重氢键已被广泛地应用于超分子复杂结构和功能材料的研究。目前大多数强作用的多重氢键体系存在结构较复杂、合成成本较高等缺陷。AAA-DDD三重氢键是能提供强作用的含有最少氢键个数的序列。本项目设计和合成了新的AAA和DDDD化合物，发现了一类易衍生功能化的AAA-DDD氢键体系，研究该体系复合物的晶体结构和结合常数等性质，分析了平面和非平面结构体系的分子识别和自分类现象，构筑了基于AAA-DDD三重氢键的超分子聚合物。本项目为具有结构简单、氢键作用强、合成成本较低的互补氢键序列的AAA-DDD三重氢键体系的应用提供了工作基础。