ABSTRACT

Structural analysis of two multi-component complexes comprising p-sulfonatocalix[4]arene penta-anion as the host molecule and 1-methylimidazolium or 1-butylimidazolium monocation as the guest species, aquated gadolinium(III) ion along with tetraphenylphosphonium cation, is reported. An interesting process during the formation of these inclusion complexes was seen, in which a proton transfer from p-sulfonatocalix[4]arene to the neutral guest molecules took place via acid-base reaction. ¹H NMR experiment confirms the formation of the host–guest complexes and the proton transfer between the calixarene and imidazolium species in solution. Careful analysis aided by CrystalExplorer, the dominant intermolecular interactions that contribute to the stabilisation of the host–guest complex formation were readily identified. Bilayer arrangement prevails in the extended structure for both complexes regardless of the type of guest species.

摘要

报道了两种多组分配合物的结构分析，包括对磺杯[4]芳烃五阴离子作为主体分子和 1-甲基咪唑鎓或 1-丁基咪唑鎓单阳离子作为客体，水合钆 (III) 离子和四苯基鏻阳离子， . 在这些包合物的形成过程中发现了一个有趣的过程，其中质子从对磺杯[4]芳烃到中性客体分子的转移是通过酸碱反应发生的。¹H NMR 实验证实了主客体复合物的形成以及溶液中杯芳烃和咪唑鎓物种之间的质子转移。借助 CrystalExplorer 的仔细分析，有助于稳定主客体复合物形成的主要分子间相互作用很容易确定。无论客体种类如何，在这两种复合物的扩展结构中都存在双层排列。