多齿羧基类主体晶格氢键包合物的合成、结构与性质

More than twenty new hydrogen-bonded inclusion compounds with host lattices built of multi-carboxyl acylic or aromatic molecules have been prepared and unambiguously characterized by single-crystal X-ray analysis. The results have demonstrated that novel hydrogen-bonded frameworks bearing different host/guest molar ratios are generated by variation in size of the hydrophobic, pseudo-spherical R4N+ guest species that act as templates. For instance, there are three different puckered layer type host-lattices in inclusion compound of thiourea, tetrabutylammonium salicylate and water; the weak hydrogen-bonding also play a significant role in building up the inclusion complexes with the 2-thiouracil anion as a key building block despite the co-existence of other stronger hydrogen-bonding interactions; hydrogen-bonded networks can be formed by cyanuric or trithiocyanuric anionic dimers together with other uncharged hydrophilic molecules; trimesic or 1,4,5,8-naphthalenetetracarboxylic anions with the co-crystallized water can be used as a key component in the construction of novel host lattices; and so on. Some coplanar or non-coplanar multi-carboxyl multi-ring compounds were synthesized to generate cage type host lattices with diferent size and diferent shape.The results calculated on typical layer type inclusion complexes show that weak interactions among the host-guest molecules have obvious stabilization. Some polymorphs of isosteric molecules were designed and synthesized, and their crystal structures, intermolecular interactions, packing effects and lattice energies had been discussed. New structure types and high temperature phases had been crystallized by seeding methods at room temperature.

选择、合成多种主体分子，辅以其它必要的质子给体或受体化合物，制备多种氢键包合物，包括多元主体晶格体系，具有多样化的空穴，可以容纳不同大小和形状的客体分子，进行晶体结构与波谱性质及理论研究。为实施分子组装，超分子材料设计与合成，改进药性提高药效，提供必要的、有价值的分子间作用及晶体中分子堆积的信息。(67).主体晶格氢键包衔? 合成、结构与性质.host lattices hydrogen-bo