用单组分有机分子、或适当的多组分有机分子为主体分子，使之以氢键网络连接成多种形式的模板，用以组装不同类型的主体晶格，进而匹配合适的客体分子形成氢键包合物，在分子自组装以及晶体工程中发挥了很大作用。本论文选用了多羧基平面型分子1,2,4,5-苯四甲酸和三氰酸，以及多羧基多环非共面型分子2,2’-联苯二甲酸和草酸-硼酸聚合物为主体，辅以硼酸小分子，以不同的季铵盐阳离子为客体，合成了6个结构新颖的包合物；以及2个4,4’-联吡啶为主体的氢键加合物，并用X-单晶衍射法进行了晶体结构分析，根据结构特点可以分为以下3个体系：1. 硼酸-多羧基平面型离子为主体的氢键包合物。以1,2,4,5-苯四甲酸为主体，辅以硼酸小分子，以大小不同的客体为模板，得到了两个不同主体结构形式的包合物；以平面型三氰酸为主体，辅以硼酸小分子，得到了一个三明治型层状包合物。2. 硼酸-多羧基多环非共面型离子为主体的氢键包合物。含有多个羧基非共面的2,2’-联苯二甲酸阴离子通过氢键自组装或与硼酸连接形成具有链状或管状结构的主体晶格。草酸、硼酸与四丁基铵反应，得到了一个结构新颖的硼酸-草酸聚合物为主体晶格的加合物，四丁基铵阳离子间隔分布在氢键四聚体之间。3. 4,4’-联吡啶-羧酸氢键加合物。4,4’-联吡啶分别与水杨酸和反式-9,10-二氢-9,10-二乙基蒽-11,12-二羧酸反应，得到了2个层状氢键加合物。对于6个包合物晶体的研究发现，不同结构形式的包合物的形成与主客体的形状大小、是否有溶剂分子参与以及溶液的酸碱性等因素有关。对于2个4,4’-联吡啶/羧酸氢键加合物的研究是对包合物中主体材料扩展的一个尝试。关键词：晶体结构 主体晶格 氢键 包合物 季铵盐阳离子

The strategy for the generation of inclusion compounds by the use of various organic host molecules with appropriate guest molecules as templates has been shown to be an important approach in the structural design or modification of the host lattice, and has the potential of yielding fruitful results in crystal engineering.Six new inclusion compounds and two hydrogen-bonded adducts of the 4,4’-bidpyridine have been prepared and unambiguously characterized by single X-ray analysis. In the six inclusion compounds, some symmetric tetraalkylammonium ions (R4N+) act as templates and the host lattices are generated by different coplanar or non-coplanar multi-carboxyl molecules with the boric acid as the additional component. The results of our studies on 1,2,4,5-tetracarboxylic acid inclusion compounds have demonstrated that different hydrogen-bond frameworks were obtained by the variation in size of the guests. And a sandwiched inclusion compound was obtained with the host lattice constructed by both cyanuric and boric acids. The diphenic acid can self-assemble or crystallize with the boric acid into chain or channel host lattices. And a novel adduct has prepared in which the tetra-n-butylammonium cations reside in the interstitial spaces of the tetramers formed by two mono(oxalate)triborates and two bis(oxalate)triborates. 4,4’-bidpyridine formed two layered hydrogen-bonded adducts with either salicylic acid or trans-9,10-dihydro-9,10-ethanoanthracicarboxylic acid.The results have demonstrated that various types of host lattices of the inclusion compounds are generated depending on the size of the hosts and guests, the cocystal solvent molecules as well as the pH of the solution. The study on the two hydrogen adducts of the 4,4’-bidpyridine is an attempt to explore novel host molecules. KEY WORDS：crystal structure, host lattice, hydrogen-bonding, inclusion compound,tetraalkyammonium.