主-客体功能化配位聚合物材料的设计组装与性能开发是新功能材料科学领域的研究热点之一。本项目设计选用氮杂环类羧酸配体作为有机构件与金属离子配位交联，以具有不同尺寸和几何构型的氨基醇分子、过渡金属配合物或刚性季胺盐为模板剂，设计合成具有新颖结构及主-客体功能化特性的配位聚合物。这些模板剂具有高效的结构导向作用，但在构筑新型多孔配位聚合物材料中较少使用。本课题将系统研究氮杂环类羧酸配体与金属离子配位交联后，如何选择性的与这些客体模板剂分子相结合，并通过主-客体协同效应构筑新型多功能配位聚合物材料，总结其中的规律；力求解决该类化合物的骨架不稳定及多孔性、高维度难以形成等问题；从实验上和理论上研究客体分子对目标化合物在气体吸附、分子催化、非线性光学和光、电、磁学等方面性能的调控作用；从而为开发新型主-客体多功能配位聚合物材料提供有效方法，并努力探求其在新功能材料领域的应用。

The construction and characterization of host-guest functional coordination polymers now are the focus of intense research interest. In this project, the novel metal-organic coordination polymers with intriguing structures and excellent host guest functional properties are constructed by the coordinating of transition metal ions and N-heterocyclic carboxylic acids, with amino-alcohol molecules, transition metal complexes, or quaternary ammonium salts of different size and geometric configuration as templates. These templates have strong structure-directing effects in fabricating porous materials, while are seldom used in the construction of new porous metal-organic coordination polymers. We will systematically study how the N-heterocylic carboxylic ligands coordinate to metal ions, and how they selectively encapsulate different guest molecules to construct new multifunctional coordination polymers through the host-guest co-regulation effects. We will try to summarize the rules behind the experiments, and resolve the inherent problems, including the instability of framework after removal of guest molecules, poor porosity, and the difficulty in forming high-dimensional structures. We will also try to investigate the controlling effects of guest molecules on the properties of coordination polymers such as gas adsorption, molecule catalysis, second-order nonlinear optics, optical, electrical, and magnetism, so as to provide new synthesis schemes for new host-guest functional materials and explore their significant applications in multifunctional materials.