Ferrierite zeolite was synthesized by a co-structure-directing route using a highly flexible diquaternary ammonium cation (N,N´-bis-triethylpentanediyldiammonium) as a structure directing agent in combination with tetramethylammonium as a small co-structure-directing agent. Strong alterations of the ¹³C NMR bands of the bulky organic dication upon confinement within the ferrierite framework suggest a change of conformation driven by host-guest interactions. A combination of molecular mechanics and DFT calculations of the theoretical ¹³C NMR chemical shifts allowed to explain the observed differences in the NMR bands of the dication in solution and when hosted in ferrierite: upon confinement, the flexible dication needs to squeeze through the flexible pentyl chain which locates along the 10MR ferrierite channels in order to host the two bulky triethyl ammonium groups in adjacent intersections with 8MR channels. Our work suggests that highly flexible cations, usually considered as less convenient organic structure-directing agents because of low specificity, have the advantage of being able to properly fit with different zeolite cell dimensions through an accordion-like effect by squeezing or stretching their flexible chains.

以高柔性二季铵阳离子（N，N′-双-三乙基戊烷二基二铵）为结构导向剂，并以四甲基铵作为小结构导向剂，通过共结构导向路线合成了镁碱沸石。限制在镁碱沸石框架内时，庞大的有机指示剂的¹³ C NMR谱带发生强烈变化，表明主体-客体相互作用驱动构象变化。结合分子力学和DFT计算的理论¹³C NMR化学位移可以解释溶液中以及在镁碱沸石中时所含指示剂的NMR谱带中观察到的差异：在封闭状态下，挠性指示剂需要通过沿10MR镁碱沸石通道定位的挠性戊基链进行挤压。与8MR通道相邻的交叉点中的两个庞大的三乙基铵基团。我们的工作表明，高柔韧性阳离子由于特异性低而通常被认为是较不方便的有机结构导向剂，其优点是能够通过挤压或拉伸它们的柔韧性链，通过手风琴般的效果适当地适应不同尺寸的沸石细胞。