Directed Templating and Synthesis of Low-Density Molecular Crystal Frameworks

9908343WARD这个题为直接模板化和低密度分子晶体框架合成的项目将探索基于晶体笼合物的材料设计。主要目标包括通过(I)利用一个多样化的有机二磺酸胍(G)柱文库来生成新的有机二磺酸胍(G)主客体骨架；(Ii)利用该文库来推断支配主客体组装和客体有序的分子识别因子；(Iii)基于配备了各种官能团和形状的有机二磺酸柱来合成GS笼合物；(Iv)研究GS结构在指导客体有序方面的作用；(V)合成扩展的“多组分柱”，其中从相对的GS片层突出的两个单磺酸盐通过氢键或金属络合等特定相互作用连接；(Vi)合成多组分骨架，其中单磺酸和二磺酸GS带状“模块”结合形成独特的多孔骨架；(Vi)探索这些模块化材料固有的多功能性，以创建可用于合成功能材料和基于结晶的分离方案的主体骨架库；(Viii)将这些概念扩展到拓扑相似的结构同系物，用有机膦酸盐取代有机磺酸盐，用其他具有三重对称性的阳离子取代胍离子。这个项目将促进对低密度主体框架组装和客体分子包含的分子识别过程的理解。其目标是能够产生潜在的应用于化学选择性和光学选择性分离的功能材料，以及具有独特晶格结构的材料，这些材料可能导致新的光电和磁性。

9908343WardThis project entitled Direct Templating and Synthesis of Low-Density Molecular Crystal Frameworks will explore materials design based on crystalline clathrates. The principal goals include the design and synthesis of host frameworks constructed from topologically complementary guanidinium (G) cations and sulfonate (S) moieties of various organodisulfonates by (i) using a diversified library of organodisulfonate pillars to generate new guanidinium organodisulfonate "porous" host frameworks; (ii) using the library to elicidiate molecular recognition factors that govern host-guest assembly and guest ordering; (iii) synthesizing GS clathrates based on organodisulfonate pillars equipped with various functionalities and shape; (iv) investigating the role of GS architectures in directing guest ordering; (v) synthesizing extended "multicomponent pillars" in which two monosulfonates projecting from opposing GS sheets are coupledby specific interactions such as hydrogen bonding or metal complexation; (vi) synthesizing multicomponent frameworks in which monosulfonate and disulfonate GS ribbon "modules" combine to form unique porous frameworks; (vi) exploring the inherent versatility of these modular materials to create a library of host frameworks that can be used for the synthesis of functionals materials and for crystallization-based separations protocols; (viii) extending these concepts to topologically similar structural homologs that replace organosulfonates with organophosphonates and guanidinium ions with other cations that have threefold symmetry.This project will advance the understanding of molecular recognition processes governing the assembly of low-density host frameworks and the inclusion of guest molecules. The aim is to be able to generate functional materials for potential applications in chemically selective and enatioselective separations, as well as materials with unique lattice architectures that may lead to novel optoelectronic and magnetic properties.