Synthesis and Characterization of a Praseodymium–Adipate Framework Templated with 1,2-bis(4-Pyridyl)ethane: Host–Guest Interactions and Structural Survey

A new templated metal–organic framework has been synthesized and characterized: [Pr2(C6H8O4)3(H2O)2]·(C12H12N2). This structure represents the completion of a series of lanthanide–adipate metal–organic framework materials that have been templated with 4,4′-bipyridine-derived template molecules. Host–guest interactions have been qualitatively analyzed within this system along with previously templated systems. On the basis of these observations, a series of guidelines have been established to predict template occlusion. These guidelines include hard–soft acid–base considerations, hydrophobic–hydrophilic interactions, hydrogen bonding, and geometric considerations. These criteria may aide in the future utilization of templates in the topological control of metal–organic frameworks.

本研究合成并表征了一种新型模板导向金属有机框架（metal–organic framework）：[Pr₂(C₆H₈O₄)₃(H₂O)₂]·(C₁₂H₁₂N₂)。该结构标志着以4,4'-联吡啶衍生分子为模板剂的镧系己二酸酯金属有机框架材料系列的构建完成。本研究对该体系及此前已报道的模板导向体系中的主客体相互作用进行了定性分析。基于上述观测结果，我们建立了一系列可用于预测模板剂包埋行为的指导准则，这些准则涵盖了软硬酸碱（hard–soft acid–base, HSAB）理论考量、亲水疏水相互作用、氢键作用以及几何构型因素。上述判据可为未来在金属有机框架的拓扑结构调控中应用模板剂提供理论支撑。